1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine

C20H27N7 — CID 72940438

IUPAC1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
SMILESCc1cc(N2CCC(NCc3nnc4ccccn34)CC2)nc(C(C)C)n1
InChIInChI=1S/C20H27N7/c1-14(2)20-22-15(3)12-18(23-20)26-10-7-16(8-11-26)21-13-19-25-24-17-6-4-5-9-27(17)19/h4-6,9,12,14,16,21H,7-8,10-11,13H2,1-3H3
InChIKeyUPTUEJWUGBVRHX-UHFFFAOYSA-N
MW365.49 g/mol
LogP2.71
Rot. Bonds5

About 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine

1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 72940438) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID72940438
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC Name1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
SMILESCc1cc(N2CCC(NCc3nnc4ccccn34)CC2)nc(C(C)C)n1
InChIInChI=1S/C20H27N7/c1-14(2)20-22-15(3)12-18(23-20)26-10-7-16(8-11-26)21-13-19-25-24-17-6-4-5-9-27(17)19/h4-6,9,12,14,16,21H,7-8,10-11,13H2,1-3H3
InChIKeyUPTUEJWUGBVRHX-UHFFFAOYSA-N
XLogP2.71
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 135106778
methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate
CID 84585847
4-(3-bromopyrrolidin-1-yl)-6-methyl-2-propan-2-ylpyrimidine
CID 80667644
4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 63257362
1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 72884221
1-[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 99856169
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol
CID 80702341
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]thian-4-amine
CID 115685594
4-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
CID 28656296
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]cyclohexanamine
CID 43755994
3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 126931931
1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine
CID 43230936

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine (CID 72940438) is 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine is Cc1cc(N2CCC(NCc3nnc4ccccn34)CC2)nc(C(C)C)n1.
What is the InChIKey of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is UPTUEJWUGBVRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7/c1-14(2)20-22-15(3)12-18(23-20)26-10-7-16(8-11-26)21-13-19-25-24-17-6-4-5-9-27(17)19/h4-6,9,12,14,16,21H,7-8,10-11,13H2,1-3H3.
What are the key properties of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine?
1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 365.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 72940438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).