2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide

C10H17N5O2 — CID 136974847

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N5O2/c1-3-4-12-9(16)6(2)15-8-7(11)10(17)14-5-13-8/h5-6H,3-4,11H2,1-2H3,(H,12,16)(H2,13,14,15,17)
InChIKeyRHUFEYZZUYFISP-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.32
Rot. Bonds5

About 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide (PubChem CID 136974847) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide
PubChem CID136974847
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N5O2/c1-3-4-12-9(16)6(2)15-8-7(11)10(17)14-5-13-8/h5-6H,3-4,11H2,1-2H3,(H,12,16)(H2,13,14,15,17)
InChIKeyRHUFEYZZUYFISP-UHFFFAOYSA-N
XLogP-0.32
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide (CID 136974847) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide?
The InChIKey is RHUFEYZZUYFISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-3-4-12-9(16)6(2)15-8-7(11)10(17)14-5-13-8/h5-6H,3-4,11H2,1-2H3,(H,12,16)(H2,13,14,15,17).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide has a molecular weight of 239.28 g/mol, XLogP of -0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 136974847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).