[4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol

C16H19N5O — CID 138053330

IUPAC[4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol
SMILESCc1cc(N2CC(c3ncc(C4CC4)cn3)C2)nc(CO)n1
InChIInChI=1S/C16H19N5O/c1-10-4-15(20-14(9-22)19-10)21-7-13(8-21)16-17-5-12(6-18-16)11-2-3-11/h4-6,11,13,22H,2-3,7-9H2,1H3
InChIKeyVLWVPDSXZGGDHC-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.55
Rot. Bonds4

About [4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol

[4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol (PubChem CID 138053330) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is [4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol
PubChem CID138053330
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name[4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol
SMILESCc1cc(N2CC(c3ncc(C4CC4)cn3)C2)nc(CO)n1
InChIInChI=1S/C16H19N5O/c1-10-4-15(20-14(9-22)19-10)21-7-13(8-21)16-17-5-12(6-18-16)11-2-3-11/h4-6,11,13,22H,2-3,7-9H2,1H3
InChIKeyVLWVPDSXZGGDHC-UHFFFAOYSA-N
XLogP1.55
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol?
The IUPAC name of [4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol (CID 138053330) is [4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol.
What is the SMILES notation for [4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol?
The canonical SMILES for [4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol is Cc1cc(N2CC(c3ncc(C4CC4)cn3)C2)nc(CO)n1.
What is the InChIKey of [4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol?
The InChIKey is VLWVPDSXZGGDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10-4-15(20-14(9-22)19-10)21-7-13(8-21)16-17-5-12(6-18-16)11-2-3-11/h4-6,11,13,22H,2-3,7-9H2,1H3.
What are the key properties of [4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol?
[4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol has a molecular weight of 297.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol is sourced from PubChem (CID 138053330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).