3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide

C10H15IN4O2 — CID 136954307

IUPAC3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O2/c1-6(2)15-7(16)3-4-12-9-8(11)10(17)14-5-13-9/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,12,13,14,17)
InChIKeyBSMYGFFJRVHBLZ-UHFFFAOYSA-N
MW350.16 g/mol
LogP0.70
Rot. Bonds5

About 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide

3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 136954307) has the molecular formula C10H15IN4O2 and a molecular weight of 350.16 g/mol. Its IUPAC name is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
PubChem CID136954307
Molecular FormulaC10H15IN4O2
Molecular Weight350.16 g/mol
Exact Mass350.02
IUPAC Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O2/c1-6(2)15-7(16)3-4-12-9-8(11)10(17)14-5-13-9/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,12,13,14,17)
InChIKeyBSMYGFFJRVHBLZ-UHFFFAOYSA-N
XLogP0.70
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 66307816
N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
CID 66307817
N-ethyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
CID 66308648
3-(5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 66310131
3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 66340439
3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 66341331
N-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66341332
N-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66343120
2-Amino-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 81941543
3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114583930
3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114584036
3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114584088

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide (CID 136954307) is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is BSMYGFFJRVHBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O2/c1-6(2)15-7(16)3-4-12-9-8(11)10(17)14-5-13-9/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 350.16 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 136954307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).