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

C11H19N5O2 — CID 137016633

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide
SMILESCC(Nc1nc[nH]c(=O)c1N)C(=O)NC(C)(C)C
InChIInChI=1S/C11H19N5O2/c1-6(9(17)16-11(2,3)4)15-8-7(12)10(18)14-5-13-8/h5-6H,12H2,1-4H3,(H,16,17)(H2,13,14,15,18)
InChIKeyCGKSGPUSLOAHNY-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.07
Rot. Bonds3

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide (PubChem CID 137016633) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide
PubChem CID137016633
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide
SMILESCC(Nc1nc[nH]c(=O)c1N)C(=O)NC(C)(C)C
InChIInChI=1S/C11H19N5O2/c1-6(9(17)16-11(2,3)4)15-8-7(12)10(18)14-5-13-8/h5-6H,12H2,1-4H3,(H,16,17)(H2,13,14,15,18)
InChIKeyCGKSGPUSLOAHNY-UHFFFAOYSA-N
XLogP0.07
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 137016632
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 137016213
5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976716
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
CID 136973568
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136974772
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2,3-trimethylbutanoic acid
CID 137015847
5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973977

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide (CID 137016633) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide is CC(Nc1nc[nH]c(=O)c1N)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide?
The InChIKey is CGKSGPUSLOAHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-6(9(17)16-11(2,3)4)15-8-7(12)10(18)14-5-13-8/h5-6H,12H2,1-4H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide has a molecular weight of 253.31 g/mol, XLogP of 0.07, 3 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-tert-butylpropanamide is sourced from PubChem (CID 137016633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).