6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride

C14H23Cl2N7 — CID 154903434

IUPAC6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
SMILESCc1ccn(CCNc2cc(C3CC(N)C3)nc(N)n2)n1.Cl.Cl
InChIInChI=1S/C14H21N7.2ClH/c1-9-2-4-21(20-9)5-3-17-13-8-12(18-14(16)19-13)10-6-11(15)7-10;;/h2,4,8,10-11H,3,5-7,15H2,1H3,(H3,16,17,18,19);2*1H
InChIKeyXROYVFFDLNBOMB-UHFFFAOYSA-N
MW360.29 g/mol
LogP1.72
Rot. Bonds5

About 6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride

6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride (PubChem CID 154903434) has the molecular formula C14H23Cl2N7 and a molecular weight of 360.29 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
PubChem CID154903434
Molecular FormulaC14H23Cl2N7
Molecular Weight360.29 g/mol
Exact Mass359.14
IUPAC Name6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
SMILESCc1ccn(CCNc2cc(C3CC(N)C3)nc(N)n2)n1.Cl.Cl
InChIInChI=1S/C14H21N7.2ClH/c1-9-2-4-21(20-9)5-3-17-13-8-12(18-14(16)19-13)10-6-11(15)7-10;;/h2,4,8,10-11H,3,5-7,15H2,1H3,(H3,16,17,18,19);2*1H
InChIKeyXROYVFFDLNBOMB-UHFFFAOYSA-N
XLogP1.72
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154902254
6-(3-aminocyclobutyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902401
6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 91768815
6-(3-aminocyclobutyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 91792566
6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154903345
6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902821
4-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]butan-1-ol
CID 91792554
6-(3-aminocyclobutyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 91766519
6-(3-aminocyclobutyl)-4-N-[2-(3-chlorophenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154901843
6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 91784508
6-(3-aminocyclobutyl)-4-N-(3-pyridin-4-ylpropyl)pyrimidine-2,4-diamine
CID 91787226
6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine
CID 91789180

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride (CID 154903434) is 6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride is Cc1ccn(CCNc2cc(C3CC(N)C3)nc(N)n2)n1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride?
The InChIKey is XROYVFFDLNBOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7.2ClH/c1-9-2-4-21(20-9)5-3-17-13-8-12(18-14(16)19-13)10-6-11(15)7-10;;/h2,4,8,10-11H,3,5-7,15H2,1H3,(H3,16,17,18,19);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride?
6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride has a molecular weight of 360.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 154903434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).