(2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide

C9H13ClN4O2 — CID 97073917

IUPAC(2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
SMILESCOC[C@@H](Nc1cc(Cl)nc(C)n1)C(N)=O
InChIInChI=1S/C9H13ClN4O2/c1-5-12-7(10)3-8(13-5)14-6(4-16-2)9(11)15/h3,6H,4H2,1-2H3,(H2,11,15)(H,12,13,14)/t6-/m1/s1
InChIKeyUAAFQKODOUWHHQ-ZCFIWIBFSA-N
MW244.68 g/mol
LogP0.35
Rot. Bonds5

About (2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide

(2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide (PubChem CID 97073917) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is (2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
PubChem CID97073917
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name(2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
SMILESCOC[C@@H](Nc1cc(Cl)nc(C)n1)C(N)=O
InChIInChI=1S/C9H13ClN4O2/c1-5-12-7(10)3-8(13-5)14-6(4-16-2)9(11)15/h3,6H,4H2,1-2H3,(H2,11,15)(H,12,13,14)/t6-/m1/s1
InChIKeyUAAFQKODOUWHHQ-ZCFIWIBFSA-N
XLogP0.35
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
CID 71908396
2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078586
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203473
6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine
CID 95787437
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 121204763
(2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide
CID 164638276
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate
CID 154720037
3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098086
2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 65048396
4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine
CID 129372111
2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide
CID 83073416

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide?
The IUPAC name of (2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide (CID 97073917) is (2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide?
The canonical SMILES for (2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide is COC[C@@H](Nc1cc(Cl)nc(C)n1)C(N)=O.
What is the InChIKey of (2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide?
The InChIKey is UAAFQKODOUWHHQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-5-12-7(10)3-8(13-5)14-6(4-16-2)9(11)15/h3,6H,4H2,1-2H3,(H2,11,15)(H,12,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide?
(2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide has a molecular weight of 244.68 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide is sourced from PubChem (CID 97073917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).