4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one

C10H17IN4O — CID 136901103

IUPAC4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC(CN)CCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O/c1-7(5-12)3-2-4-13-9-8(11)10(16)15-6-14-9/h6-7H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyJGLZEGTZDBANER-UHFFFAOYSA-N
MW336.18 g/mol
LogP1.16
Rot. Bonds6

About 4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136901103) has the molecular formula C10H17IN4O and a molecular weight of 336.18 g/mol. Its IUPAC name is 4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136901103
Molecular FormulaC10H17IN4O
Molecular Weight336.18 g/mol
Exact Mass336.04
IUPAC Name4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC(CN)CCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O/c1-7(5-12)3-2-4-13-9-8(11)10(16)15-6-14-9/h6-7H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyJGLZEGTZDBANER-UHFFFAOYSA-N
XLogP1.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136901103) is 4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one is CC(CN)CCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is JGLZEGTZDBANER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4O/c1-7(5-12)3-2-4-13-9-8(11)10(16)15-6-14-9/h6-7H,2-5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 336.18 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136901103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).