1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C14H23N3O — CID 65110996

IUPAC1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCc1cc(NCC2(O)CCCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-2-6-12-9-13(17-11-16-12)15-10-14(18)7-4-3-5-8-14/h9,11,18H,2-8,10H2,1H3,(H,15,16,17)
InChIKeyCKXTXWFCVUWQFT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.54
Rot. Bonds5

About 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65110996) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65110996
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCc1cc(NCC2(O)CCCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-2-6-12-9-13(17-11-16-12)15-10-14(18)7-4-3-5-8-14/h9,11,18H,2-8,10H2,1H3,(H,15,16,17)
InChIKeyCKXTXWFCVUWQFT-UHFFFAOYSA-N
XLogP2.54
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433253
1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 115417098
N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 114125912
N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 107164291
[1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 112697562
N-[1-(chloromethyl)cyclopentyl]-6-propylpyrimidin-4-amine
CID 65028976
1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443640
N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
2-[1-[(6-propylpyrimidin-4-yl)amino]cyclopentyl]acetic acid
CID 64701746
1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 80843498
1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 80843577
[1-[[[6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968726

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 65110996) is 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CCCc1cc(NCC2(O)CCCCC2)ncn1.
What is the InChIKey of 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is CKXTXWFCVUWQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-6-12-9-13(17-11-16-12)15-10-14(18)7-4-3-5-8-14/h9,11,18H,2-8,10H2,1H3,(H,15,16,17).
What are the key properties of 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65110996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).