2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide

C10H11ClN4O2 — CID 114052896

IUPAC2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide
SMILESC#CCC(N)C(=O)Nc1nc(Cl)cc(OC)n1
InChIInChI=1S/C10H11ClN4O2/c1-3-4-6(12)9(16)15-10-13-7(11)5-8(14-10)17-2/h1,5-6H,4,12H2,2H3,(H,13,14,15,16)
InChIKeyXQQVQQIQNGKDBN-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.43
Rot. Bonds4

About 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide

2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide (PubChem CID 114052896) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide
PubChem CID114052896
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide
SMILESC#CCC(N)C(=O)Nc1nc(Cl)cc(OC)n1
InChIInChI=1S/C10H11ClN4O2/c1-3-4-6(12)9(16)15-10-13-7(11)5-8(14-10)17-2/h1,5-6H,4,12H2,2H3,(H,13,14,15,16)
InChIKeyXQQVQQIQNGKDBN-UHFFFAOYSA-N
XLogP0.43
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052893
2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide
CID 114052886
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide
CID 106114275
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methoxypropanamide
CID 107625774
2-amino-N-(2-chloropyrimidin-4-yl)pent-4-ynamide
CID 116794976
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052877
(2R)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600196
(2S)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600159
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107600043
(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide
CID 107625737
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide
CID 114053516
2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide
CID 107585441

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide?
The IUPAC name of 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide (CID 114052896) is 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide.
What is the SMILES notation for 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide?
The canonical SMILES for 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide is C#CCC(N)C(=O)Nc1nc(Cl)cc(OC)n1.
What is the InChIKey of 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide?
The InChIKey is XQQVQQIQNGKDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-3-4-6(12)9(16)15-10-13-7(11)5-8(14-10)17-2/h1,5-6H,4,12H2,2H3,(H,13,14,15,16).
What are the key properties of 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide?
2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide has a molecular weight of 254.68 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide is sourced from PubChem (CID 114052896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).