4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one

C10H14IN3O — CID 136870777

IUPAC4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)(Nc1nc[nH]c(=O)c1I)C1CC1
InChIInChI=1S/C10H14IN3O/c1-10(2,6-3-4-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyKSHZVPPBUYRMHK-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.98
Rot. Bonds3

About 4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one

4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136870777) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136870777
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)(Nc1nc[nH]c(=O)c1I)C1CC1
InChIInChI=1S/C10H14IN3O/c1-10(2,6-3-4-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyKSHZVPPBUYRMHK-UHFFFAOYSA-N
XLogP1.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757521
5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824072
4-[(1-amino-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136848632
5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852215
4-[(2,2-dimethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136857208
4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136857219
5-iodo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136870767
5-amino-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 136870774
5-chloro-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 136870776
4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 136870779
5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 136870780
4-[(5-amino-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136901103

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one (CID 136870777) is 4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one is CC(C)(Nc1nc[nH]c(=O)c1I)C1CC1.
What is the InChIKey of 4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is KSHZVPPBUYRMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-10(2,6-3-4-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one?
4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 319.15 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpropan-2-ylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136870777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).