4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C13H21N3O2 — CID 114148469

IUPAC4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCOc1ncnc(NCC2CCC(O)CC2)c1C
InChIInChI=1S/C13H21N3O2/c1-9-12(15-8-16-13(9)18-2)14-7-10-3-5-11(17)6-4-10/h8,10-11,17H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyXIDVUJBPVIKFIX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.76
Rot. Bonds4

About 4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 114148469) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID114148469
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCOc1ncnc(NCC2CCC(O)CC2)c1C
InChIInChI=1S/C13H21N3O2/c1-9-12(15-8-16-13(9)18-2)14-7-10-3-5-11(17)6-4-10/h8,10-11,17H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyXIDVUJBPVIKFIX-UHFFFAOYSA-N
XLogP1.76
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526307
N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 114098263
N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66326139
N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine
CID 66332349
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
N-(1H-imidazol-2-ylmethyl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327904
N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 66325432
2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]acetamide
CID 66327451
3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 80922260
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855861
4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130913
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 114148469) is 4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is COc1ncnc(NCC2CCC(O)CC2)c1C.
What is the InChIKey of 4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XIDVUJBPVIKFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-12(15-8-16-13(9)18-2)14-7-10-3-5-11(17)6-4-10/h8,10-11,17H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114148469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).