6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride

C19H30Cl2N6 — CID 154902493

IUPAC6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCc1n[nH]c(C)c1CCN(C)c1cc(C2CC(N)C2)nc(C2CC2)n1.Cl.Cl
InChIInChI=1S/C19H28N6.2ClH/c1-11-16(12(2)24-23-11)6-7-25(3)18-10-17(14-8-15(20)9-14)21-19(22-18)13-4-5-13;;/h10,13-15H,4-9,20H2,1-3H3,(H,23,24);2*1H
InChIKeyNMYYPKNFYACLMB-UHFFFAOYSA-N
MW413.40 g/mol
LogP3.42
Rot. Bonds6

About 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride (PubChem CID 154902493) has the molecular formula C19H30Cl2N6 and a molecular weight of 413.40 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride
PubChem CID154902493
Molecular FormulaC19H30Cl2N6
Molecular Weight413.40 g/mol
Exact Mass412.19
IUPAC Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCc1n[nH]c(C)c1CCN(C)c1cc(C2CC(N)C2)nc(C2CC2)n1.Cl.Cl
InChIInChI=1S/C19H28N6.2ClH/c1-11-16(12(2)24-23-11)6-7-25(3)18-10-17(14-8-15(20)9-14)21-19(22-18)13-4-5-13;;/h10,13-15H,4-9,20H2,1-3H3,(H,23,24);2*1H
InChIKeyNMYYPKNFYACLMB-UHFFFAOYSA-N
XLogP3.42
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-aminocyclobutyl)-2-cyclopropyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154901979
6-(3-aminocyclobutyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902391
6-(3-aminocyclobutyl)-4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 91843305
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methoxymethyl)-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119073075
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyridin-2-amine
CID 70718686
6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 91771660
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118778875
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 91791117
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154903388
6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
CID 154902244
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 91767683
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpropan-1-amine
CID 118794146

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride (CID 154902493) is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride is Cc1n[nH]c(C)c1CCN(C)c1cc(C2CC(N)C2)nc(C2CC2)n1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride?
The InChIKey is NMYYPKNFYACLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6.2ClH/c1-11-16(12(2)24-23-11)6-7-25(3)18-10-17(14-8-15(20)9-14)21-19(22-18)13-4-5-13;;/h10,13-15H,4-9,20H2,1-3H3,(H,23,24);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride has a molecular weight of 413.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).