1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol

C19H20N4O2 — CID 110237342

IUPAC1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol
SMILESCc1cnccc1-c1cnc(N2CCCC(O)C2)nc1-c1ccco1
InChIInChI=1S/C19H20N4O2/c1-13-10-20-7-6-15(13)16-11-21-19(23-8-2-4-14(24)12-23)22-18(16)17-5-3-9-25-17/h3,5-7,9-11,14,24H,2,4,8,12H2,1H3
InChIKeyMVSULURXURTDJU-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.07
Rot. Bonds3

About 1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol

1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol (PubChem CID 110237342) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol
PubChem CID110237342
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol
SMILESCc1cnccc1-c1cnc(N2CCCC(O)C2)nc1-c1ccco1
InChIInChI=1S/C19H20N4O2/c1-13-10-20-7-6-15(13)16-11-21-19(23-8-2-4-14(24)12-23)22-18(16)17-5-3-9-25-17/h3,5-7,9-11,14,24H,2,4,8,12H2,1H3
InChIKeyMVSULURXURTDJU-UHFFFAOYSA-N
XLogP3.07
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol (CID 110237342) is 1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol is Cc1cnccc1-c1cnc(N2CCCC(O)C2)nc1-c1ccco1.
What is the InChIKey of 1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol?
The InChIKey is MVSULURXURTDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-10-20-7-6-15(13)16-11-21-19(23-8-2-4-14(24)12-23)22-18(16)17-5-3-9-25-17/h3,5-7,9-11,14,24H,2,4,8,12H2,1H3.
What are the key properties of 1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol?
1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol has a molecular weight of 336.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)-5-(3-methyl-4-pyridinyl)pyrimidin-2-yl]piperidin-3-ol is sourced from PubChem (CID 110237342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).