2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

C25H39N5O2 — CID 162661087

IUPAC2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCCCC2CC2CCCCC2)n1
InChIInChI=1S/C25H39N5O2/c31-24(26-18-20-9-10-20)22-17-23(29-12-14-32-15-13-29)28-25(27-22)30-11-5-4-8-21(30)16-19-6-2-1-3-7-19/h17,19-21H,1-16,18H2,(H,26,31)
InChIKeyVEEJKUMVTJPDKB-UHFFFAOYSA-N
MW441.62 g/mol
LogP3.78
Rot. Bonds7

About 2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 162661087) has the molecular formula C25H39N5O2 and a molecular weight of 441.62 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID162661087
Molecular FormulaC25H39N5O2
Molecular Weight441.62 g/mol
Exact Mass441.31
IUPAC Name2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCCCC2CC2CCCCC2)n1
InChIInChI=1S/C25H39N5O2/c31-24(26-18-20-9-10-20)22-17-23(29-12-14-32-15-13-29)28-25(27-22)30-11-5-4-8-21(30)16-19-6-2-1-3-7-19/h17,19-21H,1-16,18H2,(H,26,31)
InChIKeyVEEJKUMVTJPDKB-UHFFFAOYSA-N
XLogP3.78
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzyl-3-phenylpiperazin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 149254263
N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 150260357
N-(cyclopropylmethyl)-6-morpholin-4-yl-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
CID 153321109
2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 153321127
N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(3-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 147661083
2-chloro-N-(cyclopropylmethyl)-6-morpholinopyrimidine-4-carboxamide
CID 145998144
2-cyclopropyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrimidine-4-carboxamide
CID 71980130
[2-Methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538768
[6-(2-Methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538798
1-[2-Methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 75538833
Ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 75538838
N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 162650117

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 162661087) is 2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCCCC2CC2CCCCC2)n1.
What is the InChIKey of 2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is VEEJKUMVTJPDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O2/c31-24(26-18-20-9-10-20)22-17-23(29-12-14-32-15-13-29)28-25(27-22)30-11-5-4-8-21(30)16-19-6-2-1-3-7-19/h17,19-21H,1-16,18H2,(H,26,31).
What are the key properties of 2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 441.62 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 162661087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).