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

C10H17N5O2 — CID 136713569

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N5O2/c1-4-15(3)10(17)6(2)14-8-7(11)9(16)13-5-12-8/h5-6H,4,11H2,1-3H3,(H2,12,13,14,16)
InChIKeyXPUZSONJELRENB-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.37
Rot. Bonds4

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 136713569) 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-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
PubChem CID136713569
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N5O2/c1-4-15(3)10(17)6(2)14-8-7(11)9(16)13-5-12-8/h5-6H,4,11H2,1-3H3,(H2,12,13,14,16)
InChIKeyXPUZSONJELRENB-UHFFFAOYSA-N
XLogP-0.37
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-4(3H)-pteridinone
CID 135401455
2,2-dimethyl-N-(5,6,7-trimethyl-4-oxo-3,4,5,6,7,8-hexahydro-2-pteridinyl)propanamide
CID 135401451
Pepteridine A
CID 146684612
Pepteridine B
CID 146684613
2-Amino-6-dimethylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136035310
5,6-Dimethyl-5,6,7,8-tetrahydropterin
CID 135554447
Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
Pyrimidine, 4-amino-5-diethylamino-6-hydroxy-
CID 171384005
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
Pteridine, 2-amino-3,4,7,8-tetrahydro-6-hydroxy-3,7,7-trimethyl-4-oxo-
CID 171384871
2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-1H-pteridin-4-one
CID 135401456
Methylenetetrahydromethanopterin
CID 135886615

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide (CID 136713569) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is XPUZSONJELRENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-4-15(3)10(17)6(2)14-8-7(11)9(16)13-5-12-8/h5-6H,4,11H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 239.28 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 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-ethyl-N-methylpropanamide is sourced from PubChem (CID 136713569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).