2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol

C12H20ClN3O3 — CID 114211195

IUPAC2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
SMILESCCOCc1nc(Cl)cc(NC(CO)CCOC)n1
InChIInChI=1S/C12H20ClN3O3/c1-3-19-8-12-15-10(13)6-11(16-12)14-9(7-17)4-5-18-2/h6,9,17H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyOVEXUWZQZYCFMH-UHFFFAOYSA-N
MW289.76 g/mol
LogP1.48
Rot. Bonds9

About 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol

2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol (PubChem CID 114211195) has the molecular formula C12H20ClN3O3 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
PubChem CID114211195
Molecular FormulaC12H20ClN3O3
Molecular Weight289.76 g/mol
Exact Mass289.12
IUPAC Name2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
SMILESCCOCc1nc(Cl)cc(NC(CO)CCOC)n1
InChIInChI=1S/C12H20ClN3O3/c1-3-19-8-12-15-10(13)6-11(16-12)14-9(7-17)4-5-18-2/h6,9,17H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyOVEXUWZQZYCFMH-UHFFFAOYSA-N
XLogP1.48
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198708
N-but-3-yn-2-yl-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 106196464
6-chloro-2-(ethoxymethyl)-N-hex-1-yn-3-ylpyrimidin-4-amine
CID 114161658
2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
CID 103112929
6-chloro-2-(ethoxymethyl)-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 114131045
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
4-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149272
3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157112
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400811
6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114416

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The IUPAC name of 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol (CID 114211195) is 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The canonical SMILES for 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol is CCOCc1nc(Cl)cc(NC(CO)CCOC)n1.
What is the InChIKey of 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The InChIKey is OVEXUWZQZYCFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O3/c1-3-19-8-12-15-10(13)6-11(16-12)14-9(7-17)4-5-18-2/h6,9,17H,3-5,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol has a molecular weight of 289.76 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 114211195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).