2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide

C18H31ClN4O2 — CID 23568599

IUPAC2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide
SMILESCCCc1cc(NC(CC(C)C)C(=O)NCCCOCC)nc(Cl)n1
InChIInChI=1S/C18H31ClN4O2/c1-5-8-14-12-16(23-18(19)21-14)22-15(11-13(3)4)17(24)20-9-7-10-25-6-2/h12-13,15H,5-11H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyMYKZWQJZSZZERO-UHFFFAOYSA-N
MW370.93 g/mol
LogP3.45
Rot. Bonds12

About 2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide

2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide (PubChem CID 23568599) has the molecular formula C18H31ClN4O2 and a molecular weight of 370.93 g/mol. Its IUPAC name is 2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide
PubChem CID23568599
Molecular FormulaC18H31ClN4O2
Molecular Weight370.93 g/mol
Exact Mass370.21
IUPAC Name2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide
SMILESCCCc1cc(NC(CC(C)C)C(=O)NCCCOCC)nc(Cl)n1
InChIInChI=1S/C18H31ClN4O2/c1-5-8-14-12-16(23-18(19)21-14)22-15(11-13(3)4)17(24)20-9-7-10-25-6-2/h12-13,15H,5-11H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyMYKZWQJZSZZERO-UHFFFAOYSA-N
XLogP3.45
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide?
The IUPAC name of 2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide (CID 23568599) is 2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide.
What is the SMILES notation for 2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide?
The canonical SMILES for 2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide is CCCc1cc(NC(CC(C)C)C(=O)NCCCOCC)nc(Cl)n1.
What is the InChIKey of 2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide?
The InChIKey is MYKZWQJZSZZERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClN4O2/c1-5-8-14-12-16(23-18(19)21-14)22-15(11-13(3)4)17(24)20-9-7-10-25-6-2/h12-13,15H,5-11H2,1-4H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide?
2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide has a molecular weight of 370.93 g/mol, XLogP of 3.45, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-propylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide is sourced from PubChem (CID 23568599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).