3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide

C10H16N4O3 — CID 136843220

IUPAC3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCOc1c(NCC(C)(C)C(N)=O)nc[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-10(2,9(11)16)4-12-7-6(17-3)8(15)14-5-13-7/h5H,4H2,1-3H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyNSFJFCWBNIVMNO-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.30
Rot. Bonds5

About 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide

3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide (PubChem CID 136843220) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
PubChem CID136843220
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCOc1c(NCC(C)(C)C(N)=O)nc[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-10(2,9(11)16)4-12-7-6(17-3)8(15)14-5-13-7/h5H,4H2,1-3H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyNSFJFCWBNIVMNO-UHFFFAOYSA-N
XLogP-0.30
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide (CID 136843220) is 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide is COc1c(NCC(C)(C)C(N)=O)nc[nH]c1=O.
What is the InChIKey of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is NSFJFCWBNIVMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,9(11)16)4-12-7-6(17-3)8(15)14-5-13-7/h5H,4H2,1-3H3,(H2,11,16)(H2,12,13,14,15).
What are the key properties of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 240.26 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 136843220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).