3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide

C9H15N5O2 — CID 106178960

IUPAC3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
SMILESCCNc1cc(NCC(O)C(N)=O)ncn1
InChIInChI=1S/C9H15N5O2/c1-2-11-7-3-8(14-5-13-7)12-4-6(15)9(10)16/h3,5-6,15H,2,4H2,1H3,(H2,10,16)(H2,11,12,13,14)
InChIKeyPDVVJWJYUYDSTR-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.83
Rot. Bonds6

About 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide

3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide (PubChem CID 106178960) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
PubChem CID106178960
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
SMILESCCNc1cc(NCC(O)C(N)=O)ncn1
InChIInChI=1S/C9H15N5O2/c1-2-11-7-3-8(14-5-13-7)12-4-6(15)9(10)16/h3,5-6,15H,2,4H2,1H3,(H2,10,16)(H2,11,12,13,14)
InChIKeyPDVVJWJYUYDSTR-UHFFFAOYSA-N
XLogP-0.83
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178679
3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786995
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159494
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779514
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179504
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178955
3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178721
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179473
2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide
CID 106170693
(2S)-2-[[6-(2-hydroxypropylamino)pyrimidin-4-yl]amino]propanoic acid
CID 122049425
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
3-[(5-cyano-2-pyridinyl)amino]-2-hydroxypropanamide
CID 107257703

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide (CID 106178960) is 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide is CCNc1cc(NCC(O)C(N)=O)ncn1.
What is the InChIKey of 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide?
The InChIKey is PDVVJWJYUYDSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-2-11-7-3-8(14-5-13-7)12-4-6(15)9(10)16/h3,5-6,15H,2,4H2,1H3,(H2,10,16)(H2,11,12,13,14).
What are the key properties of 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide?
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide has a molecular weight of 225.25 g/mol, XLogP of -0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106178960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).