5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide

C16H19ClN4O4 — CID 121486014

About 5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide

5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 121486014) has the molecular formula C16H19ClN4O4 and a molecular weight of 366.81 g/mol. Its IUPAC name is 5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
• PubChem CID: 121486014
• Molecular Formula: C16H19ClN4O4
• Molecular Weight: 366.81 g/mol
• Exact Mass: 366.11
• IUPAC Name: 5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
• SMILES: C=C1NC(=O)NC(C(=O)N[C@H](C)COc2cc(Cl)cc(OC)c2)=C1N
• InChI: InChI=1S/C16H19ClN4O4/c1-8(7-25-12-5-10(17)4-11(6-12)24-3)19-15(22)14-13(18)9(2)20-16(23)21-14/h4-6,8H,2,7,18H2,1,3H3,(H,19,22)(H2,20,21,23)/t8-/m1/s1
• InChIKey: LCNGLHWLFQPUOA-MRVPVSSYSA-N
• XLogP: 1.23
• TPSA: 114.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.81
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?

The IUPAC name of 5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide (CID 121486014) is 5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide.

What is the SMILES notation for 5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?

The canonical SMILES for 5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)N[C@H](C)COc2cc(Cl)cc(OC)c2)=C1N.

What is the InChIKey of 5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?

The InChIKey is LCNGLHWLFQPUOA-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H19ClN4O4/c1-8(7-25-12-5-10(17)4-11(6-12)24-3)19-15(22)14-13(18)9(2)20-16(23)21-14/h4-6,8H,2,7,18H2,1,3H3,(H,19,22)(H2,20,21,23)/t8-/m1/s1.

What are the key properties of 5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?

5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 121486014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).