3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol

C13H20ClN3O2 — CID 106162439

IUPAC3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C13H20ClN3O2/c1-8-11(14)16-13(9-3-4-9)17-12(8)15-10(5-6-18)7-19-2/h9-10,18H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyAMYXZWOWDYGEQW-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.13
Rot. Bonds7

About 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol

3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol (PubChem CID 106162439) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
PubChem CID106162439
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C13H20ClN3O2/c1-8-11(14)16-13(9-3-4-9)17-12(8)15-10(5-6-18)7-19-2/h9-10,18H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyAMYXZWOWDYGEQW-UHFFFAOYSA-N
XLogP2.13
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol (CID 106162439) is 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol is COCC(CCO)Nc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The InChIKey is AMYXZWOWDYGEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8-11(14)16-13(9-3-4-9)17-12(8)15-10(5-6-18)7-19-2/h9-10,18H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol has a molecular weight of 285.77 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106162439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).