6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride

C19H32Cl2N6O — CID 154902611

IUPAC6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCOCc1nc(C2CC(N)C2)cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)n1.Cl.Cl
InChIInChI=1S/C19H30N6O.2ClH/c1-19(2,3)16-8-14(23-24-16)10-25(4)18-9-15(12-6-13(20)7-12)21-17(22-18)11-26-5;;/h8-9,12-13H,6-7,10-11,20H2,1-5H3,(H,23,24);2*1H
InChIKeySPBOOJCJFWHXMF-UHFFFAOYSA-N
MW431.41 g/mol
LogP3.33
Rot. Bonds6

About 6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride (PubChem CID 154902611) has the molecular formula C19H32Cl2N6O and a molecular weight of 431.41 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride
PubChem CID154902611
Molecular FormulaC19H32Cl2N6O
Molecular Weight431.41 g/mol
Exact Mass430.20
IUPAC Name6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride
SMILESCOCc1nc(C2CC(N)C2)cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)n1.Cl.Cl
InChIInChI=1S/C19H30N6O.2ClH/c1-19(2,3)16-8-14(23-24-16)10-25(4)18-9-15(12-6-13(20)7-12)21-17(22-18)11-26-5;;/h8-9,12-13H,6-7,10-11,20H2,1-5H3,(H,23,24);2*1H
InChIKeySPBOOJCJFWHXMF-UHFFFAOYSA-N
XLogP3.33
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902367
6-(3-aminocyclobutyl)-N-[(5-tert-butylpyrazolidin-3-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 133264661
2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride
CID 154902812
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902804
2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one
CID 136664824
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)-2-(methoxymethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902022
6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 91798368
6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
CID 154902244
6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902697
4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride
CID 154902331
6-(3-aminocyclobutyl)-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 91767141

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride (CID 154902611) is 6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride is COCc1nc(C2CC(N)C2)cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)n1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride?
The InChIKey is SPBOOJCJFWHXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O.2ClH/c1-19(2,3)16-8-14(23-24-16)10-25(4)18-9-15(12-6-13(20)7-12)21-17(22-18)11-26-5;;/h8-9,12-13H,6-7,10-11,20H2,1-5H3,(H,23,24);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride has a molecular weight of 431.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).