2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide

C9H15N5O — CID 80805134

IUPAC2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1ccnc(N)n1
InChIInChI=1S/C9H15N5O/c1-3-11-8(15)6-14(2)7-4-5-12-9(10)13-7/h4-5H,3,6H2,1-2H3,(H,11,15)(H2,10,12,13)
InChIKeyPHWHRXIEFSJPPA-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.37
Rot. Bonds4

About 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide

2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide (PubChem CID 80805134) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide
PubChem CID80805134
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1ccnc(N)n1
InChIInChI=1S/C9H15N5O/c1-3-11-8(15)6-14(2)7-4-5-12-9(10)13-7/h4-5H,3,6H2,1-2H3,(H,11,15)(H2,10,12,13)
InChIKeyPHWHRXIEFSJPPA-UHFFFAOYSA-N
XLogP-0.37
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80779602
2-[(2-aminopyrimidin-4-yl)amino]-N-ethylacetamide
CID 80787810
2-[(2-aminopyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80809739
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779125
1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80848859
2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 62342254
4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80791966
N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide
CID 114055927
1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80811340
2-[(3-carbamothioylpyrazin-2-yl)-methylamino]-N-ethylacetamide
CID 62683608
2-[(3-chloro-1,2,4-triazin-5-yl)-methylamino]-N-ethylacetamide
CID 115000863
N-ethyl-2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]acetamide
CID 113401806

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide (CID 80805134) is 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)c1ccnc(N)n1.
What is the InChIKey of 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide?
The InChIKey is PHWHRXIEFSJPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-3-11-8(15)6-14(2)7-4-5-12-9(10)13-7/h4-5H,3,6H2,1-2H3,(H,11,15)(H2,10,12,13).
What are the key properties of 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide?
2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide has a molecular weight of 209.25 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide is sourced from PubChem (CID 80805134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).