(6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one

C15H16N2O2 — CID 175639004

IUPAC(6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one
SMILESCc1ccc2c(c1)[C@@H](C(C)C)Oc1[nH]c(=O)ncc1-2
InChIInChI=1S/C15H16N2O2/c1-8(2)13-11-6-9(3)4-5-10(11)12-7-16-15(18)17-14(12)19-13/h4-8,13H,1-3H3,(H,16,17,18)/t13-/m1/s1
InChIKeyNPLQFUXPECMEAA-CYBMUJFWSA-N
MW256.31 g/mol
LogP2.83
Rot. Bonds1

About (6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one

(6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one (PubChem CID 175639004) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name(6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one
PubChem CID175639004
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one
SMILESCc1ccc2c(c1)[C@@H](C(C)C)Oc1[nH]c(=O)ncc1-2
InChIInChI=1S/C15H16N2O2/c1-8(2)13-11-6-9(3)4-5-10(11)12-7-16-15(18)17-14(12)19-13/h4-8,13H,1-3H3,(H,16,17,18)/t13-/m1/s1
InChIKeyNPLQFUXPECMEAA-CYBMUJFWSA-N
XLogP2.83
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one?
The IUPAC name of (6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one (CID 175639004) is (6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one.
What is the SMILES notation for (6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one?
The canonical SMILES for (6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one is Cc1ccc2c(c1)[C@@H](C(C)C)Oc1[nH]c(=O)ncc1-2.
What is the InChIKey of (6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one?
The InChIKey is NPLQFUXPECMEAA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-8(2)13-11-6-9(3)4-5-10(11)12-7-16-15(18)17-14(12)19-13/h4-8,13H,1-3H3,(H,16,17,18)/t13-/m1/s1.
What are the key properties of (6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one?
(6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one has a molecular weight of 256.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-methyl-6-propan-2-yl-4,6-dihydroisochromeno[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 175639004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).