6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine

C12H19N5 — CID 115264180

IUPAC6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
SMILESc1nc(NC2CCC2)cc(NC2CCNC2)n1
InChIInChI=1S/C12H19N5/c1-2-9(3-1)16-11-6-12(15-8-14-11)17-10-4-5-13-7-10/h6,8-10,13H,1-5,7H2,(H2,14,15,16,17)
InChIKeyOKOUCINUQSFIPL-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.21
Rot. Bonds4

About 6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine

6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine (PubChem CID 115264180) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
PubChem CID115264180
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
SMILESc1nc(NC2CCC2)cc(NC2CCNC2)n1
InChIInChI=1S/C12H19N5/c1-2-9(3-1)16-11-6-12(15-8-14-11)17-10-4-5-13-7-10/h6,8-10,13H,1-5,7H2,(H2,14,15,16,17)
InChIKeyOKOUCINUQSFIPL-UHFFFAOYSA-N
XLogP1.21
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71639835
6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 67157079
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 77233652
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-amine
CID 112709889
6-N-cyclopropyl-4-N-methyl-4-N-[(3R)-piperidin-3-yl]pyrimidine-4,6-diamine
CID 96555845
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine
CID 126848416
4-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 115265146
N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine
CID 115265252

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine (CID 115264180) is 6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine is c1nc(NC2CCC2)cc(NC2CCNC2)n1.
What is the InChIKey of 6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
The InChIKey is OKOUCINUQSFIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-2-9(3-1)16-11-6-12(15-8-14-11)17-10-4-5-13-7-10/h6,8-10,13H,1-5,7H2,(H2,14,15,16,17).
What are the key properties of 6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine?
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115264180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).