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

C9H15N5O — CID 80786995

IUPAC3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCNc1cc(NCCC(N)=O)ncn1
InChIInChI=1S/C9H15N5O/c1-2-11-8-5-9(14-6-13-8)12-4-3-7(10)15/h5-6H,2-4H2,1H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyCEBOWRNLZKUDAS-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.20
Rot. Bonds6

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

3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80786995) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80786995
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCNc1cc(NCCC(N)=O)ncn1
InChIInChI=1S/C9H15N5O/c1-2-11-8-5-9(14-6-13-8)12-4-3-7(10)15/h5-6H,2-4H2,1H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyCEBOWRNLZKUDAS-UHFFFAOYSA-N
XLogP0.20
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202
3-[(6-cyanopyrimidin-4-yl)amino]propanamide
CID 126973504
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide
CID 80787743
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178960
4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
CID 80933799
5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide
CID 114162867
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80787264
5-[(6-chloropyrimidin-4-yl)amino]pentanamide
CID 106239916
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80933122
N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 113481499
2-[(6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83118066

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide (CID 80786995) is 3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide is CCNc1cc(NCCC(N)=O)ncn1.
What is the InChIKey of 3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is CEBOWRNLZKUDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-2-11-8-5-9(14-6-13-8)12-4-3-7(10)15/h5-6H,2-4H2,1H3,(H2,10,15)(H2,11,12,13,14).
What are the key properties of 3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide?
3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 209.25 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80786995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).