4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine

C20H30N6 — CID 171997086

IUPAC4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine
SMILESCc1cccc(CCN2CCCC(N(C)c3cc(N(C)C)ncn3)C2)n1
InChIInChI=1S/C20H30N6/c1-16-7-5-8-17(23-16)10-12-26-11-6-9-18(14-26)25(4)20-13-19(24(2)3)21-15-22-20/h5,7-8,13,15,18H,6,9-12,14H2,1-4H3
InChIKeyOTUKVJZVCDIZBR-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.39
Rot. Bonds6

About 4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine

4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine (PubChem CID 171997086) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine
PubChem CID171997086
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine
SMILESCc1cccc(CCN2CCCC(N(C)c3cc(N(C)C)ncn3)C2)n1
InChIInChI=1S/C20H30N6/c1-16-7-5-8-17(23-16)10-12-26-11-6-9-18(14-26)25(4)20-13-19(24(2)3)21-15-22-20/h5,7-8,13,15,18H,6,9-12,14H2,1-4H3
InChIKeyOTUKVJZVCDIZBR-UHFFFAOYSA-N
XLogP2.39
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine (CID 171997086) is 4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine is Cc1cccc(CCN2CCCC(N(C)c3cc(N(C)C)ncn3)C2)n1.
What is the InChIKey of 4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine?
The InChIKey is OTUKVJZVCDIZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-16-7-5-8-17(23-16)10-12-26-11-6-9-18(14-26)25(4)20-13-19(24(2)3)21-15-22-20/h5,7-8,13,15,18H,6,9-12,14H2,1-4H3.
What are the key properties of 4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine?
4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine has a molecular weight of 354.50 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,6-N-trimethyl-4-N-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 171997086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).