[1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol

C14H23N3O — CID 72899244

IUPAC[1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol
SMILESCCc1cc(N(C)CC2(CO)CCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-3-12-8-13(16-11-15-12)17(2)9-14(10-18)6-4-5-7-14/h8,11,18H,3-7,9-10H2,1-2H3
InChIKeyBSFFWIUDZZFONO-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.03
Rot. Bonds5

About [1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol

[1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol (PubChem CID 72899244) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol
PubChem CID72899244
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol
SMILESCCc1cc(N(C)CC2(CO)CCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-3-12-8-13(16-11-15-12)17(2)9-14(10-18)6-4-5-7-14/h8,11,18H,3-7,9-10H2,1-2H3
InChIKeyBSFFWIUDZZFONO-UHFFFAOYSA-N
XLogP2.03
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol (CID 72899244) is [1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol is CCc1cc(N(C)CC2(CO)CCCC2)ncn1.
What is the InChIKey of [1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol?
The InChIKey is BSFFWIUDZZFONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-12-8-13(16-11-15-12)17(2)9-14(10-18)6-4-5-7-14/h8,11,18H,3-7,9-10H2,1-2H3.
What are the key properties of [1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol?
[1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(6-ethylpyrimidin-4-yl)-methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 72899244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).