N-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide

C16H24N4O3 — CID 126840367

IUPACN-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCC(CO)CC1)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C16H24N4O3/c21-10-12-1-3-13(4-2-12)19-16(22)14-9-15(18-11-17-14)20-5-7-23-8-6-20/h9,11-13,21H,1-8,10H2,(H,19,22)
InChIKeyFQKFTABMQAXZOM-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.59
Rot. Bonds4

About N-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide

N-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 126840367) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID126840367
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCC(CO)CC1)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C16H24N4O3/c21-10-12-1-3-13(4-2-12)19-16(22)14-9-15(18-11-17-14)20-5-7-23-8-6-20/h9,11-13,21H,1-8,10H2,(H,19,22)
InChIKeyFQKFTABMQAXZOM-UHFFFAOYSA-N
XLogP0.59
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 91667431
2-[2-(cyclohexylmethyl)piperidin-1-yl]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 162661087
3-{(3R*,4S*)-1-[(2-amino-6-isopropylpyrimidin-4-yl)carbonyl]-4-morpholin-4-ylpiperidin-3-yl}propan-1-ol
CID 72870928
1-(6-Morpholinopyrimidine-4-carbonyl)piperidine-4-carboxamide
CID 91816381
N-[2-(3,3-difluorocyclopentyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 136567605
N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 68558978
(4-aminopiperidin-1-yl)-[6-[[(2R)-oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 139546881
2-[4-(cyclopropylcarbamoylamino)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 143632994
[6-(Oxan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 153939968
6-[4-[3-(Oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376564
(4-Aminopiperidin-1-yl)-[6-(oxan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 162471195
(3-Hydroxypiperidin-1-yl)-[6-[[1-(2-methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]methanone
CID 170207663

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 126840367) is N-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide is O=C(NC1CCC(CO)CC1)c1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is FQKFTABMQAXZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-10-12-1-3-13(4-2-12)19-16(22)14-9-15(18-11-17-14)20-5-7-23-8-6-20/h9,11-13,21H,1-8,10H2,(H,19,22).
What are the key properties of N-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 126840367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).