[4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol

C18H21N3O3 — CID 166260676

IUPAC[4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol
SMILESCc1cc(NC2CC3(CCOC3)Oc3ccccc32)nc(CO)n1
InChIInChI=1S/C18H21N3O3/c1-12-8-16(21-17(10-22)19-12)20-14-9-18(6-7-23-11-18)24-15-5-3-2-4-13(14)15/h2-5,8,14,22H,6-7,9-11H2,1H3,(H,19,20,21)
InChIKeyUXNQTTNXDGIKRC-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.37
Rot. Bonds3

About [4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol

[4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol (PubChem CID 166260676) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol
PubChem CID166260676
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol
SMILESCc1cc(NC2CC3(CCOC3)Oc3ccccc32)nc(CO)n1
InChIInChI=1S/C18H21N3O3/c1-12-8-16(21-17(10-22)19-12)20-14-9-18(6-7-23-11-18)24-15-5-3-2-4-13(14)15/h2-5,8,14,22H,6-7,9-11H2,1H3,(H,19,20,21)
InChIKeyUXNQTTNXDGIKRC-UHFFFAOYSA-N
XLogP2.37
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol?
The IUPAC name of [4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol (CID 166260676) is [4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol?
The canonical SMILES for [4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol is Cc1cc(NC2CC3(CCOC3)Oc3ccccc32)nc(CO)n1.
What is the InChIKey of [4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol?
The InChIKey is UXNQTTNXDGIKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-8-16(21-17(10-22)19-12)20-14-9-18(6-7-23-11-18)24-15-5-3-2-4-13(14)15/h2-5,8,14,22H,6-7,9-11H2,1H3,(H,19,20,21).
What are the key properties of [4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol?
[4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol has a molecular weight of 327.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(spiro[3,4-dihydrochromene-2,3'-oxolane]-4-ylamino)pyrimidin-2-yl]methanol is sourced from PubChem (CID 166260676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).