N-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide

C16H22N4O3 — CID 110246688

IUPACN-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide
SMILESCc1ncncc1C(=O)N1CCOC(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H22N4O3/c1-11-13(8-17-10-18-11)16(22)20-6-7-23-14(9-20)15(21)19-12-4-2-3-5-12/h8,10,12,14H,2-7,9H2,1H3,(H,19,21)
InChIKeyDMQNKFAXYVRHSB-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.68
Rot. Bonds3

About N-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide

N-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide (PubChem CID 110246688) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide
PubChem CID110246688
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide
SMILESCc1ncncc1C(=O)N1CCOC(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H22N4O3/c1-11-13(8-17-10-18-11)16(22)20-6-7-23-14(9-20)15(21)19-12-4-2-3-5-12/h8,10,12,14H,2-7,9H2,1H3,(H,19,21)
InChIKeyDMQNKFAXYVRHSB-UHFFFAOYSA-N
XLogP0.68
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 44615903
2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide
CID 46345475
N-(2-morpholin-4-ylethyl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 53505726
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 53505870
(3S)-3-ethyl-4-{[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]carbonyl}morpholine
CID 70714769
(3S)-3-ethyl-4-[(2-isopropyl-4-methylpyrimidin-5-yl)carbonyl]morpholine
CID 70731416
1-{4-Methyl-2-[(3-morpholin-4-ylpropyl)amino]pyrimidin-5-yl}ethanone
CID 72852511
N-{[8-(5-acetyl-4-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72912414
[1-(2,4-Dimethylpyrimidine-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 92631816
[2-[1-(2-Methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92636278
Azepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone
CID 110246425
[4-(2,4-Dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 110246426

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide?
The IUPAC name of N-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide (CID 110246688) is N-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide is Cc1ncncc1C(=O)N1CCOC(C(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide?
The InChIKey is DMQNKFAXYVRHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-13(8-17-10-18-11)16(22)20-6-7-23-14(9-20)15(21)19-12-4-2-3-5-12/h8,10,12,14H,2-7,9H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide?
N-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(4-methylpyrimidine-5-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 110246688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).