5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one

C10H17IN4O — CID 136914200

IUPAC5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
SMILESCNCC(C)CN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O/c1-7(4-12-2)5-15(3)9-8(11)10(16)14-6-13-9/h6-7,12H,4-5H2,1-3H3,(H,13,14,16)
InChIKeyZPTVZAQRTGLLTF-UHFFFAOYSA-N
MW336.18 g/mol
LogP0.67
Rot. Bonds5

About 5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one

5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one (PubChem CID 136914200) has the molecular formula C10H17IN4O and a molecular weight of 336.18 g/mol. Its IUPAC name is 5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
PubChem CID136914200
Molecular FormulaC10H17IN4O
Molecular Weight336.18 g/mol
Exact Mass336.04
IUPAC Name5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
SMILESCNCC(C)CN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O/c1-7(4-12-2)5-15(3)9-8(11)10(16)14-6-13-9/h6-7,12H,4-5H2,1-3H3,(H,13,14,16)
InChIKeyZPTVZAQRTGLLTF-UHFFFAOYSA-N
XLogP0.67
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957461
3-[3-(Ethylamino)-2-methylpropyl]-5-iodopyrimidin-4-one
CID 66309301
5-Iodo-3-[2-methyl-3-(propylamino)propyl]pyrimidin-4-one
CID 66309307
5-Iodo-3-[2-methyl-3-(methylamino)propyl]pyrimidin-4-one
CID 66309309
5-Iodo-3-[3-(2-methylpropylamino)propyl]pyrimidin-4-one
CID 66310374
3-[3-(Ethylamino)-2-methylpropyl]-5-iodo-6-methylpyrimidin-4-one
CID 66341571
5-Iodo-6-methyl-3-[2-methyl-3-(propylamino)propyl]pyrimidin-4-one
CID 66341797
5-Iodo-6-methyl-3-[3-(2-methylpropylamino)propyl]pyrimidin-4-one
CID 66341803
5-Iodo-6-methyl-3-[2-methyl-3-(methylamino)propyl]pyrimidin-4-one
CID 66342012
5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136689231
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704111

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one (CID 136914200) is 5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one is CNCC(C)CN(C)c1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The InChIKey is ZPTVZAQRTGLLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4O/c1-7(4-12-2)5-15(3)9-8(11)10(16)14-6-13-9/h6-7,12H,4-5H2,1-3H3,(H,13,14,16).
What are the key properties of 5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one has a molecular weight of 336.18 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136914200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).