5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide

C13H21N5O2 — CID 62186023

IUPAC5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C13H21N5O2/c1-5-15-12(19)8(4)17-13(20)10-9(14)6-16-11(18-10)7(2)3/h6-8H,5,14H2,1-4H3,(H,15,19)(H,17,20)
InChIKeyFNMHKNGPKMQFGZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.44
Rot. Bonds5

About 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62186023) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62186023
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C13H21N5O2/c1-5-15-12(19)8(4)17-13(20)10-9(14)6-16-11(18-10)7(2)3/h6-8H,5,14H2,1-4H3,(H,15,19)(H,17,20)
InChIKeyFNMHKNGPKMQFGZ-UHFFFAOYSA-N
XLogP0.44
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62241327
5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161489
5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161344
5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64583560
5-amino-2-propan-2-yl-N-(2-sulfamoylethyl)pyrimidine-4-carboxamide
CID 62155667
5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64643270
5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82947676
5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 65042334
5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55043487
5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62155107
5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide
CID 106432982
5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide
CID 62186515

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 62186023) is 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide is CCNC(=O)C(C)NC(=O)c1nc(C(C)C)ncc1N.
What is the InChIKey of 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is FNMHKNGPKMQFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-5-15-12(19)8(4)17-13(20)10-9(14)6-16-11(18-10)7(2)3/h6-8H,5,14H2,1-4H3,(H,15,19)(H,17,20).
What are the key properties of 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62186023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).