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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163143
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106192396
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152264
methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80970316
3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114150856
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106162464
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-4-methoxybutan-1-ol
CID 106163074
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712
3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80978642
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106157779
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80971282
methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
CID 84690746

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).