[1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

C14H23N3O2 — CID 115360640

IUPAC[1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCCCOc1cc(NCC2(CO)CCCC2)ncn1
InChIInChI=1S/C14H23N3O2/c1-2-7-19-13-8-12(16-11-17-13)15-9-14(10-18)5-3-4-6-14/h8,11,18H,2-7,9-10H2,1H3,(H,15,16,17)
InChIKeyYSGRHERJWRIUPO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.23
Rot. Bonds7

About [1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

[1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 115360640) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
PubChem CID115360640
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCCCOc1cc(NCC2(CO)CCCC2)ncn1
InChIInChI=1S/C14H23N3O2/c1-2-7-19-13-8-12(16-11-17-13)15-9-14(10-18)5-3-4-6-14/h8,11,18H,2-7,9-10H2,1H3,(H,15,16,17)
InChIKeyYSGRHERJWRIUPO-UHFFFAOYSA-N
XLogP2.23
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103967277
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine
CID 113313752
[1-[[[6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968726
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-ethoxypyrimidin-4-amine
CID 113294686
[1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 112697562
[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457224
[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115361870
[1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 113359835
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxypyrimidin-4-amine
CID 115363649
[4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300157
2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162308
N-[[1-(aminomethyl)cyclopentyl]methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 115365986

Frequently Asked Questions

What is the IUPAC name of [1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (CID 115360640) is [1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is CCCOc1cc(NCC2(CO)CCCC2)ncn1.
What is the InChIKey of [1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is YSGRHERJWRIUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-7-19-13-8-12(16-11-17-13)15-9-14(10-18)5-3-4-6-14/h8,11,18H,2-7,9-10H2,1H3,(H,15,16,17).
What are the key properties of [1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 265.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115360640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).