5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol

C19H25N3O — CID 155354420

IUPAC5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol
SMILESCc1nc(-c2ccc3c(c2O)CCC3(C)C)nc(N)c1C(C)C
InChIInChI=1S/C19H25N3O/c1-10(2)15-11(3)21-18(22-17(15)20)13-6-7-14-12(16(13)23)8-9-19(14,4)5/h6-7,10,23H,8-9H2,1-5H3,(H2,20,21,22)
InChIKeyRDLYDVNFMWGMSL-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.09
Rot. Bonds2

About 5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol

5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol (PubChem CID 155354420) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol.

Molecular Properties

Compound Name5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol
PubChem CID155354420
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol
SMILESCc1nc(-c2ccc3c(c2O)CCC3(C)C)nc(N)c1C(C)C
InChIInChI=1S/C19H25N3O/c1-10(2)15-11(3)21-18(22-17(15)20)13-6-7-14-12(16(13)23)8-9-19(14,4)5/h6-7,10,23H,8-9H2,1-5H3,(H2,20,21,22)
InChIKeyRDLYDVNFMWGMSL-UHFFFAOYSA-N
XLogP4.09
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol?
The IUPAC name of 5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol (CID 155354420) is 5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol.
What is the SMILES notation for 5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol?
The canonical SMILES for 5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol is Cc1nc(-c2ccc3c(c2O)CCC3(C)C)nc(N)c1C(C)C.
What is the InChIKey of 5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol?
The InChIKey is RDLYDVNFMWGMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-10(2)15-11(3)21-18(22-17(15)20)13-6-7-14-12(16(13)23)8-9-19(14,4)5/h6-7,10,23H,8-9H2,1-5H3,(H2,20,21,22).
What are the key properties of 5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol?
5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol has a molecular weight of 311.43 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-6-methyl-5-propan-2-ylpyrimidin-2-yl)-1,1-dimethyl-2,3-dihydroinden-4-ol is sourced from PubChem (CID 155354420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).