6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine

C14H23N5 — CID 115266503

IUPAC6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
SMILESCc1nc(NC2CCC2)cc(NC2CCCNC2)n1
InChIInChI=1S/C14H23N5/c1-10-16-13(18-11-4-2-5-11)8-14(17-10)19-12-6-3-7-15-9-12/h8,11-12,15H,2-7,9H2,1H3,(H2,16,17,18,19)
InChIKeyZBBHUTQFKLFFGY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.91
Rot. Bonds4

About 6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine

6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine (PubChem CID 115266503) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
PubChem CID115266503
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
SMILESCc1nc(NC2CCC2)cc(NC2CCCNC2)n1
InChIInChI=1S/C14H23N5/c1-10-16-13(18-11-4-2-5-11)8-14(17-10)19-12-6-3-7-15-9-12/h8,11-12,15H,2-7,9H2,1H3,(H2,16,17,18,19)
InChIKeyZBBHUTQFKLFFGY-UHFFFAOYSA-N
XLogP1.91
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266504
4-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71638526
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
N-cyclopentyl-2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine
CID 95846278
N-piperidin-3-ylpyridin-2-amine
CID 63321128
6-chloro-N-piperidin-3-ylpyridin-2-amine
CID 71564691
2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 71643313
2-methylsulfanyl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;hydrochloride
CID 71643312
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 110277893
4-N-cyclooctyl-2-methylpyrimidine-4,6-diamine
CID 80786651
1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one
CID 115266890

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine (CID 115266503) is 6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine is Cc1nc(NC2CCC2)cc(NC2CCCNC2)n1.
What is the InChIKey of 6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine?
The InChIKey is ZBBHUTQFKLFFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10-16-13(18-11-4-2-5-11)8-14(17-10)19-12-6-3-7-15-9-12/h8,11-12,15H,2-7,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine?
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115266503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).