2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide

C12H19ClN6O2 — CID 125141490

IUPAC2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)C[C@H]1CN(c2ncnc(N)c2Cl)CCO1
InChIInChI=1S/C12H19ClN6O2/c1-18(6-9(14)20)4-8-5-19(2-3-21-8)12-10(13)11(15)16-7-17-12/h7-8H,2-6H2,1H3,(H2,14,20)(H2,15,16,17)/t8-/m0/s1
InChIKeyYCAWIPKYNVVYDO-QMMMGPOBSA-N
MW314.78 g/mol
LogP-0.67
Rot. Bonds5

About 2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide

2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide (PubChem CID 125141490) has the molecular formula C12H19ClN6O2 and a molecular weight of 314.78 g/mol. Its IUPAC name is 2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide
PubChem CID125141490
Molecular FormulaC12H19ClN6O2
Molecular Weight314.78 g/mol
Exact Mass314.13
IUPAC Name2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)C[C@H]1CN(c2ncnc(N)c2Cl)CCO1
InChIInChI=1S/C12H19ClN6O2/c1-18(6-9(14)20)4-8-5-19(2-3-21-8)12-10(13)11(15)16-7-17-12/h7-8H,2-6H2,1H3,(H2,14,20)(H2,15,16,17)/t8-/m0/s1
InChIKeyYCAWIPKYNVVYDO-QMMMGPOBSA-N
XLogP-0.67
TPSA110.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-6-(2-ethylmorpholin-4-yl)pyrimidin-4-amine
CID 106811779
6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide
CID 126810031
2-[methyl-[[(2R)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholin-2-yl]methyl]amino]acetamide
CID 125141326
2-[methyl-[[(2R)-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methyl]amino]acetamide
CID 124875294
2-[[4-(2-cyclopropylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide
CID 128969399
2-[methyl-[[(2R)-4-(1,6-naphthyridin-4-yl)morpholin-2-yl]methyl]amino]acetamide
CID 124875126
2-[[(2R)-4-(3,8-dimethylquinolin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide
CID 125141474
2-[methyl-[[(2R)-4-(1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]amino]acetamide
CID 125141381
2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide
CID 128969383
2-[[4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methyl-methylamino]acetamide;hydrochloride
CID 120904709
2-[(4-ethylsulfonylmorpholin-2-yl)methyl-methylamino]acetamide
CID 154739726
2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide
CID 124875467

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide (CID 125141490) is 2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide is CN(CC(N)=O)C[C@H]1CN(c2ncnc(N)c2Cl)CCO1.
What is the InChIKey of 2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide?
The InChIKey is YCAWIPKYNVVYDO-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19ClN6O2/c1-18(6-9(14)20)4-8-5-19(2-3-21-8)12-10(13)11(15)16-7-17-12/h7-8H,2-6H2,1H3,(H2,14,20)(H2,15,16,17)/t8-/m0/s1.
What are the key properties of 2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide?
2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide has a molecular weight of 314.78 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 125141490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).