4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine

C15H27N5 — CID 47072382

IUPAC4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)CN2CC(C)CC(C)C2)nc(N)n1
InChIInChI=1S/C15H27N5/c1-10-5-11(2)8-20(7-10)9-13(4)17-14-6-12(3)18-15(16)19-14/h6,10-11,13H,5,7-9H2,1-4H3,(H3,16,17,18,19)
InChIKeyNGVCIKGWXPWLPY-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.15
Rot. Bonds4

About 4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine

4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine (PubChem CID 47072382) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine
PubChem CID47072382
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)CN2CC(C)CC(C)C2)nc(N)n1
InChIInChI=1S/C15H27N5/c1-10-5-11(2)8-20(7-10)9-13(4)17-14-6-12(3)18-15(16)19-14/h6,10-11,13H,5,7-9H2,1-4H3,(H3,16,17,18,19)
InChIKeyNGVCIKGWXPWLPY-UHFFFAOYSA-N
XLogP2.15
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine (CID 47072382) is 4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NC(C)CN2CC(C)CC(C)C2)nc(N)n1.
What is the InChIKey of 4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is NGVCIKGWXPWLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-10-5-11(2)8-20(7-10)9-13(4)17-14-6-12(3)18-15(16)19-14/h6,10-11,13H,5,7-9H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine?
4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 47072382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).