6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine

C16H23N7 — CID 91768815

IUPAC6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(C)nc(CCNc2cc(C3CC(N)C3)nc(N)n2)n1
InChIInChI=1S/C16H23N7/c1-9-5-10(2)21-14(20-9)3-4-19-15-8-13(22-16(18)23-15)11-6-12(17)7-11/h5,8,11-12H,3-4,6-7,17H2,1-2H3,(H3,18,19,22,23)
InChIKeyFZFHDNMXAXRRFP-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.32
Rot. Bonds5

About 6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 91768815) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID91768815
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(C)nc(CCNc2cc(C3CC(N)C3)nc(N)n2)n1
InChIInChI=1S/C16H23N7/c1-9-5-10(2)21-14(20-9)3-4-19-15-8-13(22-16(18)23-15)11-6-12(17)7-11/h5,8,11-12H,3-4,6-7,17H2,1-2H3,(H3,18,19,22,23)
InChIKeyFZFHDNMXAXRRFP-UHFFFAOYSA-N
XLogP1.32
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 91785904
6-(3-aminocyclobutyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902401
6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154903345
4-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]butan-1-ol
CID 91792554
6-(3-aminocyclobutyl)-4-N-[2-(3-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 91765713
6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154903434
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-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902632
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
6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902821

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine (CID 91768815) is 6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine is Cc1cc(C)nc(CCNc2cc(C3CC(N)C3)nc(N)n2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is FZFHDNMXAXRRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-9-5-10(2)21-14(20-9)3-4-19-15-8-13(22-16(18)23-15)11-6-12(17)7-11/h5,8,11-12H,3-4,6-7,17H2,1-2H3,(H3,18,19,22,23).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 313.41 g/mol, XLogP of 1.32, 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-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91768815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).