2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide

C11H18ClN5O3 — CID 138013300

IUPAC2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide
SMILESCOCCC(CO)NC(=O)CNc1ncnc(Cl)c1N
InChIInChI=1S/C11H18ClN5O3/c1-20-3-2-7(5-18)17-8(19)4-14-11-9(13)10(12)15-6-16-11/h6-7,18H,2-5,13H2,1H3,(H,17,19)(H,14,15,16)
InChIKeyDEGGMFNGPFEFPB-UHFFFAOYSA-N
MW303.75 g/mol
LogP-0.36
Rot. Bonds8

About 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide

2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide (PubChem CID 138013300) has the molecular formula C11H18ClN5O3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide
PubChem CID138013300
Molecular FormulaC11H18ClN5O3
Molecular Weight303.75 g/mol
Exact Mass303.11
IUPAC Name2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide
SMILESCOCCC(CO)NC(=O)CNc1ncnc(Cl)c1N
InChIInChI=1S/C11H18ClN5O3/c1-20-3-2-7(5-18)17-8(19)4-14-11-9(13)10(12)15-6-16-11/h6-7,18H,2-5,13H2,1H3,(H,17,19)(H,14,15,16)
InChIKeyDEGGMFNGPFEFPB-UHFFFAOYSA-N
XLogP-0.36
TPSA122.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106243066
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
CID 63023413
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726864
4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 64927663
6-chloro-4-N-(2-methylidenebutyl)pyrimidine-4,5-diamine
CID 130631728
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114212305
2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol
CID 131878005
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275058
2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide
CID 114211333
4-chloro-6-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrimidine-5-carbaldehyde
CID 106192408
N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide
CID 157037781
1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 112695149

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide?
The IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide (CID 138013300) is 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide.
What is the SMILES notation for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide?
The canonical SMILES for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide is COCCC(CO)NC(=O)CNc1ncnc(Cl)c1N.
What is the InChIKey of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide?
The InChIKey is DEGGMFNGPFEFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O3/c1-20-3-2-7(5-18)17-8(19)4-14-11-9(13)10(12)15-6-16-11/h6-7,18H,2-5,13H2,1H3,(H,17,19)(H,14,15,16).
What are the key properties of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide?
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide has a molecular weight of 303.75 g/mol, XLogP of -0.36, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide is sourced from PubChem (CID 138013300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).