1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol

C10H16ClN3O3 — CID 80711299

IUPAC1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc(OC)ncc1Cl
InChIInChI=1S/C10H16ClN3O3/c1-14(5-7(15)6-16-2)9-8(11)4-12-10(13-9)17-3/h4,7,15H,5-6H2,1-3H3
InChIKeyQQFIDEKPTYUNBA-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.58
Rot. Bonds6

About 1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol

1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 80711299) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
PubChem CID80711299
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc(OC)ncc1Cl
InChIInChI=1S/C10H16ClN3O3/c1-14(5-7(15)6-16-2)9-8(11)4-12-10(13-9)17-3/h4,7,15H,5-6H2,1-3H3
InChIKeyQQFIDEKPTYUNBA-UHFFFAOYSA-N
XLogP0.58
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 80810389
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 80758625
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 80752001
1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 63729834
2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol
CID 80752006
2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80753262
2-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-4-methylpentan-1-ol
CID 136532469
1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 64828925
2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80752118
1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 103321162
1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 113420435

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol (CID 80711299) is 1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1nc(OC)ncc1Cl.
What is the InChIKey of 1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is QQFIDEKPTYUNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c1-14(5-7(15)6-16-2)9-8(11)4-12-10(13-9)17-3/h4,7,15H,5-6H2,1-3H3.
What are the key properties of 1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 261.71 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 80711299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).