4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one

C10H11IN4O2 — CID 136811579

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCc1nc(CNc2nc[nH]c(=O)c2I)oc1C
InChIInChI=1S/C10H11IN4O2/c1-5-6(2)17-7(15-5)3-12-9-8(11)10(16)14-4-13-9/h4H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyBVXNMSJDSKCBHD-UHFFFAOYSA-N
MW346.13 g/mol
LogP1.59
Rot. Bonds3

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136811579) has the molecular formula C10H11IN4O2 and a molecular weight of 346.13 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136811579
Molecular FormulaC10H11IN4O2
Molecular Weight346.13 g/mol
Exact Mass345.99
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCc1nc(CNc2nc[nH]c(=O)c2I)oc1C
InChIInChI=1S/C10H11IN4O2/c1-5-6(2)17-7(15-5)3-12-9-8(11)10(16)14-4-13-9/h4H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyBVXNMSJDSKCBHD-UHFFFAOYSA-N
XLogP1.59
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.13
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 137016386
5-iodo-4-[(3-methyl-4-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137011180
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 136993962
4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730495
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 103888457
N-[2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 136956187
5-iodo-4-(3-methylsulfinylpropylamino)-1H-pyrimidin-6-one
CID 136957186
3,5-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106374390
4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 137003223
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide
CID 114180640
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703826
4-(3-chloropentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136972130

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one (CID 136811579) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one is Cc1nc(CNc2nc[nH]c(=O)c2I)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is BVXNMSJDSKCBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O2/c1-5-6(2)17-7(15-5)3-12-9-8(11)10(16)14-4-13-9/h4H,3H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 346.13 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136811579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).