2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide

C9H13ClN4O2 — CID 80758540

IUPAC2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(OC)ncc1Cl
InChIInChI=1S/C9H13ClN4O2/c1-5(8(15)11-2)13-7-6(10)4-12-9(14-7)16-3/h4-5H,1-3H3,(H,11,15)(H,12,13,14)
InChIKeyPATAKINCDQOILN-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.69
Rot. Bonds4

About 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide

2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 80758540) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID80758540
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(OC)ncc1Cl
InChIInChI=1S/C9H13ClN4O2/c1-5(8(15)11-2)13-7-6(10)4-12-9(14-7)16-3/h4-5H,1-3H3,(H,11,15)(H,12,13,14)
InChIKeyPATAKINCDQOILN-UHFFFAOYSA-N
XLogP0.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide
CID 133394626
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756840
methyl 2-[(2,5-dichloropyrimidin-4-yl)amino]propanoate
CID 79632906
2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938019
2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-methylpropanamide
CID 102756838
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62857824
5-chloro-2-methoxy-N-pent-1-yn-3-ylpyrimidin-4-amine
CID 106231241
N-[1-(4-bromophenyl)ethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80758542
5-chloro-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxypyrimidin-4-amine
CID 106181795
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol
CID 133400269
5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 96542363
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106157779

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide (CID 80758540) is 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1nc(OC)ncc1Cl.
What is the InChIKey of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is PATAKINCDQOILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-5(8(15)11-2)13-7-6(10)4-12-9(14-7)16-3/h4-5H,1-3H3,(H,11,15)(H,12,13,14).
What are the key properties of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide?
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 244.68 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 80758540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).