2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide

C7H10ClN5O — CID 112725449

IUPAC2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C7H10ClN5O/c1-10-6(14)3-11-5-2-4(8)12-7(9)13-5/h2H,3H2,1H3,(H,10,14)(H3,9,11,12,13)
InChIKeySCQNXFPFUOSFOX-UHFFFAOYSA-N
MW215.64 g/mol
LogP-0.13
Rot. Bonds3

About 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide

2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide (PubChem CID 112725449) has the molecular formula C7H10ClN5O and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide
PubChem CID112725449
Molecular FormulaC7H10ClN5O
Molecular Weight215.64 g/mol
Exact Mass215.06
IUPAC Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C7H10ClN5O/c1-10-6(14)3-11-5-2-4(8)12-7(9)13-5/h2H,3H2,1H3,(H,10,14)(H3,9,11,12,13)
InChIKeySCQNXFPFUOSFOX-UHFFFAOYSA-N
XLogP-0.13
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide
CID 113293339
6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine
CID 71978665
6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine
CID 103463549
2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 79492398
ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate
CID 146387327
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol
CID 79880391
6-[(2-amino-6-chloropyrimidin-4-yl)amino]hexanoate
CID 7013708
4-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 18388121
5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567
6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80734968
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 62341681

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide (CID 112725449) is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide is CNC(=O)CNc1cc(Cl)nc(N)n1.
What is the InChIKey of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide?
The InChIKey is SCQNXFPFUOSFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5O/c1-10-6(14)3-11-5-2-4(8)12-7(9)13-5/h2H,3H2,1H3,(H,10,14)(H3,9,11,12,13).
What are the key properties of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide?
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide has a molecular weight of 215.64 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide is sourced from PubChem (CID 112725449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).