2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide

C15H24FN5O2 — CID 155779817

IUPAC2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide
SMILESCC(C)(F)CCCNc1ncc(C(N)=O)c(NC2(CO)CC2)n1
InChIInChI=1S/C15H24FN5O2/c1-14(2,16)4-3-7-18-13-19-8-10(11(17)23)12(20-13)21-15(9-22)5-6-15/h8,22H,3-7,9H2,1-2H3,(H2,17,23)(H2,18,19,20,21)
InChIKeyUXVFUQUYAYWCMO-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.45
Rot. Bonds9

About 2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide

2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide (PubChem CID 155779817) has the molecular formula C15H24FN5O2 and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide
PubChem CID155779817
Molecular FormulaC15H24FN5O2
Molecular Weight325.39 g/mol
Exact Mass325.19
IUPAC Name2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide
SMILESCC(C)(F)CCCNc1ncc(C(N)=O)c(NC2(CO)CC2)n1
InChIInChI=1S/C15H24FN5O2/c1-14(2,16)4-3-7-18-13-19-8-10(11(17)23)12(20-13)21-15(9-22)5-6-15/h8,22H,3-7,9H2,1-2H3,(H2,17,23)(H2,18,19,20,21)
InChIKeyUXVFUQUYAYWCMO-UHFFFAOYSA-N
XLogP1.45
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide (CID 155779817) is 2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide is CC(C)(F)CCCNc1ncc(C(N)=O)c(NC2(CO)CC2)n1.
What is the InChIKey of 2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide?
The InChIKey is UXVFUQUYAYWCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5O2/c1-14(2,16)4-3-7-18-13-19-8-10(11(17)23)12(20-13)21-15(9-22)5-6-15/h8,22H,3-7,9H2,1-2H3,(H2,17,23)(H2,18,19,20,21).
What are the key properties of 2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide?
2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 1.45, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 155779817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).