[1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid

C17H21N5O2 — CID 67136127

IUPAC[1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid
SMILESCc1cc(N2CCC(CNC(=O)O)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H21N5O2/c1-12-10-15(21-16(20-12)14-4-2-3-7-18-14)22-8-5-13(6-9-22)11-19-17(23)24/h2-4,7,10,13,19H,5-6,8-9,11H2,1H3,(H,23,24)
InChIKeyWAGUSYMFCRTATC-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.33
Rot. Bonds4

About [1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid

[1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid (PubChem CID 67136127) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid
PubChem CID67136127
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid
SMILESCc1cc(N2CCC(CNC(=O)O)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H21N5O2/c1-12-10-15(21-16(20-12)14-4-2-3-7-18-14)22-8-5-13(6-9-22)11-19-17(23)24/h2-4,7,10,13,19H,5-6,8-9,11H2,1H3,(H,23,24)
InChIKeyWAGUSYMFCRTATC-UHFFFAOYSA-N
XLogP2.33
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid
CID 22052415
4-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-thiazepane
CID 166200680
3-[[6-(4-hydroxypiperidin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963398
methyl 2-[(3S)-1-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetate
CID 136699242
4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine
CID 126819355
[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methylcarbamic acid
CID 67136498
[1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid
CID 67083707
3-[[6-(azepan-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56962975
[1-[2-(3-pyrazol-1-ylphenyl)pyrimidin-4-yl]piperidin-4-yl]methylcarbamic acid
CID 89464458
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 50946262
3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963401
[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 133290790

Frequently Asked Questions

What is the IUPAC name of [1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid?
The IUPAC name of [1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid (CID 67136127) is [1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid is Cc1cc(N2CCC(CNC(=O)O)CC2)nc(-c2ccccn2)n1.
What is the InChIKey of [1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid?
The InChIKey is WAGUSYMFCRTATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-10-15(21-16(20-12)14-4-2-3-7-18-14)22-8-5-13(6-9-22)11-19-17(23)24/h2-4,7,10,13,19H,5-6,8-9,11H2,1H3,(H,23,24).
What are the key properties of [1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid?
[1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid has a molecular weight of 327.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 67136127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).