1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol

C14H22ClN3O — CID 107405847

IUPAC1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCCCc1c(Cl)ncnc1N1CCCC(C)(O)CC1
InChIInChI=1S/C14H22ClN3O/c1-3-5-11-12(15)16-10-17-13(11)18-8-4-6-14(2,19)7-9-18/h10,19H,3-9H2,1-2H3
InChIKeyHJXVMZAKXQUTIK-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.82
Rot. Bonds3

About 1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol

1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol (PubChem CID 107405847) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol
PubChem CID107405847
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCCCc1c(Cl)ncnc1N1CCCC(C)(O)CC1
InChIInChI=1S/C14H22ClN3O/c1-3-5-11-12(15)16-10-17-13(11)18-8-4-6-14(2,19)7-9-18/h10,19H,3-9H2,1-2H3
InChIKeyHJXVMZAKXQUTIK-UHFFFAOYSA-N
XLogP2.82
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-5-ethylpyrimidin-4-yl)azepane
CID 63736460
4-(6-chloro-5-propylpyrimidin-4-yl)piperazine-2,6-dione
CID 66061062
4-(6-chloro-5-propylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 64693496
4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine
CID 63729272
1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol
CID 81108932
4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 55230444
1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81108542
1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63729539
1-(4-chloro-1,2,5-thiadiazol-3-yl)-4-methylazepan-4-ol
CID 107405803
1-(5-bromopyrimidin-4-yl)-4-methylazepan-4-ol
CID 107407437
8-(6-chloro-5-propylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769479
1-(3-bromo-5-chloro-2-pyridinyl)-4-methylazepan-4-ol
CID 107407312

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol (CID 107405847) is 1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol is CCCc1c(Cl)ncnc1N1CCCC(C)(O)CC1.
What is the InChIKey of 1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol?
The InChIKey is HJXVMZAKXQUTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-5-11-12(15)16-10-17-13(11)18-8-4-6-14(2,19)7-9-18/h10,19H,3-9H2,1-2H3.
What are the key properties of 1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol?
1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol has a molecular weight of 283.80 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-propylpyrimidin-4-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107405847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).