(2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide

C18H29N5O2 — CID 95871432

IUPAC(2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide
SMILESCC[C@@H](NCc1cc(N2CCOCC2)ncn1)C(=O)NC1CCCC1
InChIInChI=1S/C18H29N5O2/c1-2-16(18(24)22-14-5-3-4-6-14)19-12-15-11-17(21-13-20-15)23-7-9-25-10-8-23/h11,13-14,16,19H,2-10,12H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyOPWTWWBQPVEHNB-MRXNPFEDSA-N
MW347.46 g/mol
LogP1.24
Rot. Bonds7

About (2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide

(2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide (PubChem CID 95871432) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide
PubChem CID95871432
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide
SMILESCC[C@@H](NCc1cc(N2CCOCC2)ncn1)C(=O)NC1CCCC1
InChIInChI=1S/C18H29N5O2/c1-2-16(18(24)22-14-5-3-4-6-14)19-12-15-11-17(21-13-20-15)23-7-9-25-10-8-23/h11,13-14,16,19H,2-10,12H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyOPWTWWBQPVEHNB-MRXNPFEDSA-N
XLogP1.24
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-5-propan-2-ylfuran-3-carboxamide
CID 70712162
(5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95894343
(2R)-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119897858
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide
CID 154785490
(2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
CID 95862882
N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 70714984
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 167870558
4-[(1R)-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine
CID 97199716
4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine
CID 95846408
(3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide
CID 124721716
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
CID 119897919
5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide
CID 133260509

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide (CID 95871432) is (2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide is CC[C@@H](NCc1cc(N2CCOCC2)ncn1)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide?
The InChIKey is OPWTWWBQPVEHNB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-2-16(18(24)22-14-5-3-4-6-14)19-12-15-11-17(21-13-20-15)23-7-9-25-10-8-23/h11,13-14,16,19H,2-10,12H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide?
(2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide has a molecular weight of 347.46 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[(6-morpholin-4-ylpyrimidin-4-yl)methylamino]butanamide is sourced from PubChem (CID 95871432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).