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

C14H22ClN3O — CID 64911092

IUPAC2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)c1c(Cl)ncnc1NCC1CCCCC1O
InChIInChI=1S/C14H22ClN3O/c1-9(2)12-13(15)17-8-18-14(12)16-7-10-5-3-4-6-11(10)19/h8-11,19H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyHFHGDXKILSUKNA-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.22
Rot. Bonds4

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

2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 64911092) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID64911092
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)c1c(Cl)ncnc1NCC1CCCCC1O
InChIInChI=1S/C14H22ClN3O/c1-9(2)12-13(15)17-8-18-14(12)16-7-10-5-3-4-6-11(10)19/h8-11,19H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyHFHGDXKILSUKNA-UHFFFAOYSA-N
XLogP3.22
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 64911092) is 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CC(C)c1c(Cl)ncnc1NCC1CCCCC1O.
What is the InChIKey of 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is HFHGDXKILSUKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-9(2)12-13(15)17-8-18-14(12)16-7-10-5-3-4-6-11(10)19/h8-11,19H,3-7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64911092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).