4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol

C13H22ClN3O — CID 80978575

IUPAC4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCc1c(Cl)nc(C(C)C)nc1NC(C)CCCO
InChIInChI=1S/C13H22ClN3O/c1-8(2)12-16-11(14)10(4)13(17-12)15-9(3)6-5-7-18/h8-9,18H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyDLRMJBDDEFIMPW-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.13
Rot. Bonds6

About 4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol

4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 80978575) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
PubChem CID80978575
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCc1c(Cl)nc(C(C)C)nc1NC(C)CCCO
InChIInChI=1S/C13H22ClN3O/c1-8(2)12-16-11(14)10(4)13(17-12)15-9(3)6-5-7-18/h8-9,18H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyDLRMJBDDEFIMPW-UHFFFAOYSA-N
XLogP3.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol (CID 80978575) is 4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol is Cc1c(Cl)nc(C(C)C)nc1NC(C)CCCO.
What is the InChIKey of 4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is DLRMJBDDEFIMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-8(2)12-16-11(14)10(4)13(17-12)15-9(3)6-5-7-18/h8-9,18H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol?
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 80978575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).