N-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide

C11H17N5O2 — CID 114220266

IUPACN-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCNc1nc(C)cc(C(=O)NCCC(N)=O)n1
InChIInChI=1S/C11H17N5O2/c1-3-13-11-15-7(2)6-8(16-11)10(18)14-5-4-9(12)17/h6H,3-5H2,1-2H3,(H2,12,17)(H,14,18)(H,13,15,16)
InChIKeyHTLQJRPOIBGPIM-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.18
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide

N-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 114220266) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID114220266
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCNc1nc(C)cc(C(=O)NCCC(N)=O)n1
InChIInChI=1S/C11H17N5O2/c1-3-13-11-15-7(2)6-8(16-11)10(18)14-5-4-9(12)17/h6H,3-5H2,1-2H3,(H2,12,17)(H,14,18)(H,13,15,16)
InChIKeyHTLQJRPOIBGPIM-UHFFFAOYSA-N
XLogP-0.18
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)amino]propanamide
CID 107546644
6-methyl-N-(2-methylpropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320796
N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325406
6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109319095
N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109320680
N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 114220233
2-hydrazinyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyrimidine-4-carboxamide
CID 114220577
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319063
N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328635
2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332607

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide (CID 114220266) is N-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide is CCNc1nc(C)cc(C(=O)NCCC(N)=O)n1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is HTLQJRPOIBGPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-3-13-11-15-7(2)6-8(16-11)10(18)14-5-4-9(12)17/h6H,3-5H2,1-2H3,(H2,12,17)(H,14,18)(H,13,15,16).
What are the key properties of N-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide?
N-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114220266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).