6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine

C16H29N5 — CID 56710227

IUPAC6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(CN)cc(NCCC2CCN(C(C)C)CC2)n1
InChIInChI=1S/C16H29N5/c1-12(2)21-8-5-14(6-9-21)4-7-18-16-10-15(11-17)19-13(3)20-16/h10,12,14H,4-9,11,17H2,1-3H3,(H,18,19,20)
InChIKeyPRTNZNVPYNWIRV-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.17
Rot. Bonds6

About 6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine

6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 56710227) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine
PubChem CID56710227
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(CN)cc(NCCC2CCN(C(C)C)CC2)n1
InChIInChI=1S/C16H29N5/c1-12(2)21-8-5-14(6-9-21)4-7-18-16-10-15(11-17)19-13(3)20-16/h10,12,14H,4-9,11,17H2,1-3H3,(H,18,19,20)
InChIKeyPRTNZNVPYNWIRV-UHFFFAOYSA-N
XLogP2.17
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine (CID 56710227) is 6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine is Cc1nc(CN)cc(NCCC2CCN(C(C)C)CC2)n1.
What is the InChIKey of 6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is PRTNZNVPYNWIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-12(2)21-8-5-14(6-9-21)4-7-18-16-10-15(11-17)19-13(3)20-16/h10,12,14H,4-9,11,17H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-methyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 56710227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).