4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one

C10H17IN4O — CID 136848632

IUPAC4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)C(CCN)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O/c1-6(2)7(3-4-12)15-9-8(11)10(16)14-5-13-9/h5-7H,3-4,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyGNGGDQZXRNRLDE-UHFFFAOYSA-N
MW336.18 g/mol
LogP1.16
Rot. Bonds5

About 4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one

4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136848632) has the molecular formula C10H17IN4O and a molecular weight of 336.18 g/mol. Its IUPAC name is 4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136848632
Molecular FormulaC10H17IN4O
Molecular Weight336.18 g/mol
Exact Mass336.04
IUPAC Name4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)C(CCN)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O/c1-6(2)7(3-4-12)15-9-8(11)10(16)14-5-13-9/h5-7H,3-4,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyGNGGDQZXRNRLDE-UHFFFAOYSA-N
XLogP1.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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': 'iodine', 'substructure': 'N/A'}

Analyze 4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
5-iodo-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701815
4-(2-ethylhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136701822
4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704111
4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136716230
5-iodo-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731498
4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136755772
4-[(1-amino-3-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136757124
5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778296
5-iodo-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781022
5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805341

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136848632) is 4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one is CC(C)C(CCN)Nc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is GNGGDQZXRNRLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4O/c1-6(2)7(3-4-12)15-9-8(11)10(16)14-5-13-9/h5-7H,3-4,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 336.18 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136848632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).