[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol

C13H16N4O2 — CID 116976129

IUPAC[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol
SMILESOCC1CN(c2ncc(-c3cc[nH]c3)cn2)CCO1
InChIInChI=1S/C13H16N4O2/c18-9-12-8-17(3-4-19-12)13-15-6-11(7-16-13)10-1-2-14-5-10/h1-2,5-7,12,14,18H,3-4,8-9H2
InChIKeyFYQRGPGKMIHKHL-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.67
Rot. Bonds3

About [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol

[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol (PubChem CID 116976129) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol
PubChem CID116976129
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol
SMILESOCC1CN(c2ncc(-c3cc[nH]c3)cn2)CCO1
InChIInChI=1S/C13H16N4O2/c18-9-12-8-17(3-4-19-12)13-15-6-11(7-16-13)10-1-2-14-5-10/h1-2,5-7,12,14,18H,3-4,8-9H2
InChIKeyFYQRGPGKMIHKHL-UHFFFAOYSA-N
XLogP0.67
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanamine
CID 116976332
2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-ol
CID 170608695
2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-ol
CID 170608983
[4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]methanol
CID 115750247
[1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 116976207
2-[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperazin-1-yl]acetonitrile
CID 116976372
[4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholin-2-yl]methanol
CID 81205273
2-ethyl-4-(5-iodopyrimidin-2-yl)morpholine
CID 104840022
2-(2-ethylmorpholin-4-yl)pyrimidin-5-amine
CID 61147387
3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one
CID 81208935
[4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol
CID 130540472
[4-(5-methoxy-2-pyridinyl)morpholin-2-yl]methanol
CID 106504669

Frequently Asked Questions

What is the IUPAC name of [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol (CID 116976129) is [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol is OCC1CN(c2ncc(-c3cc[nH]c3)cn2)CCO1.
What is the InChIKey of [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol?
The InChIKey is FYQRGPGKMIHKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-9-12-8-17(3-4-19-12)13-15-6-11(7-16-13)10-1-2-14-5-10/h1-2,5-7,12,14,18H,3-4,8-9H2.
What are the key properties of [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol?
[4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol has a molecular weight of 260.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 116976129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).