5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one

C10H14N4O — CID 136736688

IUPAC5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one
SMILESC#CCCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H14N4O/c1-2-3-4-5-6-12-9-8(11)10(15)14-7-13-9/h1,7H,3-6,11H2,(H2,12,13,14,15)
InChIKeyRQZVEOLJRKOAAM-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.57
Rot. Bonds5

About 5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one

5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one (PubChem CID 136736688) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one
PubChem CID136736688
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one
SMILESC#CCCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H14N4O/c1-2-3-4-5-6-12-9-8(11)10(15)14-7-13-9/h1,7H,3-6,11H2,(H2,12,13,14,15)
InChIKeyRQZVEOLJRKOAAM-UHFFFAOYSA-N
XLogP0.57
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137016592
2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
CID 135584213
2,5-diamino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136418258
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
2,5-diamino-4-[[(1S)-1-aminopentyl]amino]-1H-pyrimidin-6-one
CID 140365223
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one
CID 135575723
5-amino-4-(cycloheptylamino)-1H-pyrimidin-6-one
CID 135575728
5-amino-4-(butan-2-ylamino)-1H-pyrimidin-6-one
CID 135575730
5-Amino-6-(cyclohexylamino)pyrimidin-4(3H)-one
CID 135741811
5-amino-4-(butylamino)-1H-pyrimidin-6-one
CID 135786480
5-amino-4-(propylamino)-1H-pyrimidin-6-one
CID 135786482

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one (CID 136736688) is 5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one is C#CCCCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one?
The InChIKey is RQZVEOLJRKOAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-3-4-5-6-12-9-8(11)10(15)14-7-13-9/h1,7H,3-6,11H2,(H2,12,13,14,15).
What are the key properties of 5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one?
5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one has a molecular weight of 206.25 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136736688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).