[1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol

C16H15N3O — CID 116902491

IUPAC[1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
SMILESOCC1(c2nccc(-c3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C16H15N3O/c20-10-16(6-7-16)15-17-8-5-14(19-15)12-9-18-13-4-2-1-3-11(12)13/h1-5,8-9,18,20H,6-7,10H2
InChIKeyUAYWYWGLOGDCBM-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.65
Rot. Bonds3

About [1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol

[1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol (PubChem CID 116902491) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is [1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
PubChem CID116902491
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name[1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
SMILESOCC1(c2nccc(-c3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C16H15N3O/c20-10-16(6-7-16)15-17-8-5-14(19-15)12-9-18-13-4-2-1-3-11(12)13/h1-5,8-9,18,20H,6-7,10H2
InChIKeyUAYWYWGLOGDCBM-UHFFFAOYSA-N
XLogP2.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
CID 82481705
1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine
CID 116897574
1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
CID 116896681
methane;3-phenyl-1H-indole
CID 167711687
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
3-pyridin-4-yl-1H-indole
CID 159430533
4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 15653057
4-(1H-indol-3-yl)-1,3-oxazole
CID 45276627
2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole
CID 963414
6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid
CID 82388103
4-(1H-indol-3-yl)imidazole-1,2-diamine
CID 82284365
1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one
CID 160546260

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol?
The IUPAC name of [1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol (CID 116902491) is [1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol is OCC1(c2nccc(-c3c[nH]c4ccccc34)n2)CC1.
What is the InChIKey of [1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol?
The InChIKey is UAYWYWGLOGDCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-10-16(6-7-16)15-17-8-5-14(19-15)12-9-18-13-4-2-1-3-11(12)13/h1-5,8-9,18,20H,6-7,10H2.
What are the key properties of [1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol?
[1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol has a molecular weight of 265.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol is sourced from PubChem (CID 116902491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).