(5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide

C16H29N5O2 — CID 143881523

IUPAC(5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide
SMILESNC(=O)[C@@H]1CN=C(NCCN2CCOCC2)NC1C1CCCC1
InChIInChI=1S/C16H29N5O2/c17-15(22)13-11-19-16(20-14(13)12-3-1-2-4-12)18-5-6-21-7-9-23-10-8-21/h12-14H,1-11H2,(H2,17,22)(H2,18,19,20)/t13-,14?/m1/s1
InChIKeyAIHDEZCTINJYFI-KWCCSABGSA-N
MW323.44 g/mol
LogP-0.47
Rot. Bonds5

About (5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide

(5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide (PubChem CID 143881523) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide
PubChem CID143881523
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name(5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide
SMILESNC(=O)[C@@H]1CN=C(NCCN2CCOCC2)NC1C1CCCC1
InChIInChI=1S/C16H29N5O2/c17-15(22)13-11-19-16(20-14(13)12-3-1-2-4-12)18-5-6-21-7-9-23-10-8-21/h12-14H,1-11H2,(H2,17,22)(H2,18,19,20)/t13-,14?/m1/s1
InChIKeyAIHDEZCTINJYFI-KWCCSABGSA-N
XLogP-0.47
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide with MolForge

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Related Compounds

2-Amino-5-(cyclohexylmethyl)-3-methyl-5-(morpholin-4-ylmethyl)imidazol-4-one
CID 57844839
(10S)-7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
CID 1963691
(10R)-7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
CID 1963692
7-Morpholino-9-oxo-6,8-diazaspiro[4.5]dec-7-en-10-yl cyanide
CID 3161830
2-[1-[N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]piperidin-3-yl]acetamide
CID 109557528
2-[1-[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]piperidin-3-yl]acetamide
CID 109557530
2-[1-[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]piperidin-3-yl]acetamide
CID 109559088
2-[1-[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]piperidin-3-yl]acetamide
CID 109560472
2-[1-[N-ethyl-N'-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]piperidin-3-yl]acetamide
CID 109560474
2-[1-[N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]carbamimidoyl]piperidin-3-yl]acetamide
CID 109561542
2-[1-[N-(3-ethyl-2-morpholin-4-ylpentyl)-N'-methylcarbamimidoyl]piperidin-3-yl]acetamide
CID 109562386
2-[1-[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]piperidin-3-yl]acetamide
CID 109562464

Frequently Asked Questions

What is the IUPAC name of (5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide?
The IUPAC name of (5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide (CID 143881523) is (5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide.
What is the SMILES notation for (5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide?
The canonical SMILES for (5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide is NC(=O)[C@@H]1CN=C(NCCN2CCOCC2)NC1C1CCCC1.
What is the InChIKey of (5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide?
The InChIKey is AIHDEZCTINJYFI-KWCCSABGSA-N. The full InChI is InChI=1S/C16H29N5O2/c17-15(22)13-11-19-16(20-14(13)12-3-1-2-4-12)18-5-6-21-7-9-23-10-8-21/h12-14H,1-11H2,(H2,17,22)(H2,18,19,20)/t13-,14?/m1/s1.
What are the key properties of (5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide?
(5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide has a molecular weight of 323.44 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide is sourced from PubChem (CID 143881523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).