2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide

C9H13ClN4O2 — CID 103103014

IUPAC2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1ncnc(Cl)c1CO
InChIInChI=1S/C9H13ClN4O2/c1-2-14(3-7(11)16)9-6(4-15)8(10)12-5-13-9/h5,15H,2-4H2,1H3,(H2,11,16)
InChIKeyGLEVZZFUHRFBSN-UHFFFAOYSA-N
MW244.68 g/mol
LogP-0.07
Rot. Bonds5

About 2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide

2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide (PubChem CID 103103014) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide.

Molecular Properties

Compound Name2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide
PubChem CID103103014
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1ncnc(Cl)c1CO
InChIInChI=1S/C9H13ClN4O2/c1-2-14(3-7(11)16)9-6(4-15)8(10)12-5-13-9/h5,15H,2-4H2,1H3,(H2,11,16)
InChIKeyGLEVZZFUHRFBSN-UHFFFAOYSA-N
XLogP-0.07
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide
CID 103103651
2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide
CID 103101135
2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 55231039
2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide
CID 63730164
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 103104506
2-[(3-bromo-5-chloro-2-pyridinyl)-ethylamino]acetamide
CID 103103965
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103709
2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide
CID 103102717
2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid
CID 103102785
2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide
CID 80821348
2-[(3-carbamothioylpyrazin-2-yl)-ethylamino]acetamide
CID 103102572
2-[[3-(aminomethyl)pyrazin-2-yl]-ethylamino]acetamide
CID 103101246

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide?
The IUPAC name of 2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide (CID 103103014) is 2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide.
What is the SMILES notation for 2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide?
The canonical SMILES for 2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide is CCN(CC(N)=O)c1ncnc(Cl)c1CO.
What is the InChIKey of 2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide?
The InChIKey is GLEVZZFUHRFBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-2-14(3-7(11)16)9-6(4-15)8(10)12-5-13-9/h5,15H,2-4H2,1H3,(H2,11,16).
What are the key properties of 2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide?
2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide has a molecular weight of 244.68 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide is sourced from PubChem (CID 103103014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).