4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine

C20H29N7 — CID 71081298

IUPAC4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCc1cnc(N2CCC(C3CCN(c4cc(C)nc(N)n4)CC3)CC2)nc1
InChIInChI=1S/C20H29N7/c1-14-12-22-20(23-13-14)27-9-5-17(6-10-27)16-3-7-26(8-4-16)18-11-15(2)24-19(21)25-18/h11-13,16-17H,3-10H2,1-2H3,(H2,21,24,25)
InChIKeyUKGMSTNQTJZLGJ-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.60
Rot. Bonds3

About 4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine

4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 71081298) has the molecular formula C20H29N7 and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID71081298
Molecular FormulaC20H29N7
Molecular Weight367.50 g/mol
Exact Mass367.25
IUPAC Name4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCc1cnc(N2CCC(C3CCN(c4cc(C)nc(N)n4)CC3)CC2)nc1
InChIInChI=1S/C20H29N7/c1-14-12-22-20(23-13-14)27-9-5-17(6-10-27)16-3-7-26(8-4-16)18-11-15(2)24-19(21)25-18/h11-13,16-17H,3-10H2,1-2H3,(H2,21,24,25)
InChIKeyUKGMSTNQTJZLGJ-UHFFFAOYSA-N
XLogP2.60
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine (CID 71081298) is 4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine is Cc1cnc(N2CCC(C3CCN(c4cc(C)nc(N)n4)CC3)CC2)nc1.
What is the InChIKey of 4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is UKGMSTNQTJZLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7/c1-14-12-22-20(23-13-14)27-9-5-17(6-10-27)16-3-7-26(8-4-16)18-11-15(2)24-19(21)25-18/h11-13,16-17H,3-10H2,1-2H3,(H2,21,24,25).
What are the key properties of 4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine?
4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 367.50 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 71081298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).