6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine

C16H25N7 — CID 91798368

IUPAC6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCC(C)(C)c1cc(CNc2cc(C3CC(N)C3)nc(N)n2)[nH]n1
InChIInChI=1S/C16H25N7/c1-16(2,3)13-6-11(22-23-13)8-19-14-7-12(20-15(18)21-14)9-4-10(17)5-9/h6-7,9-10H,4-5,8,17H2,1-3H3,(H,22,23)(H3,18,19,20,21)
InChIKeyZIEFXYJALIUNNA-UHFFFAOYSA-N
MW315.43 g/mol
LogP1.90
Rot. Bonds4

About 6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 91798368) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID91798368
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Name6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCC(C)(C)c1cc(CNc2cc(C3CC(N)C3)nc(N)n2)[nH]n1
InChIInChI=1S/C16H25N7/c1-16(2,3)13-6-11(22-23-13)8-19-14-7-12(20-15(18)21-14)9-4-10(17)5-9/h6-7,9-10H,4-5,8,17H2,1-3H3,(H,22,23)(H3,18,19,20,21)
InChIKeyZIEFXYJALIUNNA-UHFFFAOYSA-N
XLogP1.90
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902697
6-(3-aminocyclobutyl)-4-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 91765644
3-[2-amino-6-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91791109
6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 91784508
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
4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride
CID 154902680
6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine
CID 91763873
6-(3-aminocyclobutyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 91766519
6-(3-aminocyclobutyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902401
6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine
CID 91789180
6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 91768815

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 91798368) is 6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine is CC(C)(C)c1cc(CNc2cc(C3CC(N)C3)nc(N)n2)[nH]n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ZIEFXYJALIUNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-16(2,3)13-6-11(22-23-13)8-19-14-7-12(20-15(18)21-14)9-4-10(17)5-9/h6-7,9-10H,4-5,8,17H2,1-3H3,(H,22,23)(H3,18,19,20,21).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 315.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91798368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).