3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C14H20BrN3O — CID 106137350

IUPAC3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2cc(Br)nc(C3CC3)n2)C1
InChIInChI=1S/C14H20BrN3O/c15-12-7-13(18-14(17-12)10-4-5-10)16-8-9-2-1-3-11(19)6-9/h7,9-11,19H,1-6,8H2,(H,16,17,18)
InChIKeyKFJFBCYBKGPUST-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.08
Rot. Bonds4

About 3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106137350) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106137350
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2cc(Br)nc(C3CC3)n2)C1
InChIInChI=1S/C14H20BrN3O/c15-12-7-13(18-14(17-12)10-4-5-10)16-8-9-2-1-3-11(19)6-9/h7,9-11,19H,1-6,8H2,(H,16,17,18)
InChIKeyKFJFBCYBKGPUST-UHFFFAOYSA-N
XLogP3.08
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

3-[[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138702
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80960076
3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138429
6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine
CID 114137347
3-[[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959366
4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
3-[[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148540
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 104917710
4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80967316
4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138643
3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 106129708
4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol
CID 106196686

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 106137350) is 3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is OC1CCCC(CNc2cc(Br)nc(C3CC3)n2)C1.
What is the InChIKey of 3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is KFJFBCYBKGPUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c15-12-7-13(18-14(17-12)10-4-5-10)16-8-9-2-1-3-11(19)6-9/h7,9-11,19H,1-6,8H2,(H,16,17,18).
What are the key properties of 3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 326.24 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106137350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).