2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol

C10H16ClN3O2 — CID 106192396

IUPAC2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1nc(C)nc(Cl)c1C
InChIInChI=1S/C10H16ClN3O2/c1-6-9(11)12-7(2)13-10(6)14-8(4-15)5-16-3/h8,15H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyWCGWWWRWWKGABX-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.17
Rot. Bonds5

About 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol

2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol (PubChem CID 106192396) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
PubChem CID106192396
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1nc(C)nc(Cl)c1C
InChIInChI=1S/C10H16ClN3O2/c1-6-9(11)12-7(2)13-10(6)14-8(4-15)5-16-3/h8,15H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyWCGWWWRWWKGABX-UHFFFAOYSA-N
XLogP1.17
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198990
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152264
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106162439
6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 63734406
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106162577
6-hydrazinyl-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 80918272
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198680
6-hydrazinyl-N-(1-methoxypentan-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 80918200
6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 130979497
6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 106197156
2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198768
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106192405

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol (CID 106192396) is 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol is COCC(CO)Nc1nc(C)nc(Cl)c1C.
What is the InChIKey of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The InChIKey is WCGWWWRWWKGABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-6-9(11)12-7(2)13-10(6)14-8(4-15)5-16-3/h8,15H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol has a molecular weight of 245.71 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106192396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).