5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine

C15H26N4 — CID 72888385

IUPAC5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine
SMILESCc1cnc(NCCC2CCCCN2C(C)C)nc1
InChIInChI=1S/C15H26N4/c1-12(2)19-9-5-4-6-14(19)7-8-16-15-17-10-13(3)11-18-15/h10-12,14H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyICIXXUGKBXNYLE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.85
Rot. Bonds5

About 5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine

5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 72888385) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine
PubChem CID72888385
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine
SMILESCc1cnc(NCCC2CCCCN2C(C)C)nc1
InChIInChI=1S/C15H26N4/c1-12(2)19-9-5-4-6-14(19)7-8-16-15-17-10-13(3)11-18-15/h10-12,14H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyICIXXUGKBXNYLE-UHFFFAOYSA-N
XLogP2.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine (CID 72888385) is 5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine is Cc1cnc(NCCC2CCCCN2C(C)C)nc1.
What is the InChIKey of 5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is ICIXXUGKBXNYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12(2)19-9-5-4-6-14(19)7-8-16-15-17-10-13(3)11-18-15/h10-12,14H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine?
5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 72888385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).