3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide

C10H17N5O — CID 80787003

IUPAC3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
SMILESCCNc1nc(C)cc(NCCC(N)=O)n1
InChIInChI=1S/C10H17N5O/c1-3-12-10-14-7(2)6-9(15-10)13-5-4-8(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyRPOWNPSQUZNFGL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.50
Rot. Bonds6

About 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide

3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide (PubChem CID 80787003) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
PubChem CID80787003
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
SMILESCCNc1nc(C)cc(NCCC(N)=O)n1
InChIInChI=1S/C10H17N5O/c1-3-12-10-14-7(2)6-9(15-10)13-5-4-8(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyRPOWNPSQUZNFGL-UHFFFAOYSA-N
XLogP0.50
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate
CID 80816143
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80814270
N-(3-amino-3-oxopropyl)-2-(ethylamino)-6-methylpyrimidine-4-carboxamide
CID 114220266
3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80787264
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)amino]propanamide
CID 107546644
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanamide
CID 114765879
N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80814000
4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 122325518

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide (CID 80787003) is 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide is CCNc1nc(C)cc(NCCC(N)=O)n1.
What is the InChIKey of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide?
The InChIKey is RPOWNPSQUZNFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-3-12-10-14-7(2)6-9(15-10)13-5-4-8(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H2,12,13,14,15).
What are the key properties of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide?
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide has a molecular weight of 223.28 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80787003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).