N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine

C23H23FN6O2 — CID 139346213

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine
SMILESCc1nc(OC(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
InChIInChI=1S/C23H23FN6O2/c1-13(2)32-23-28-8-16(14(3)29-23)18-10-27-22(30-12-25-11-20(18)30)26-9-17-15-6-7-31-21(15)5-4-19(17)24/h4-5,8,10-13H,6-7,9H2,1-3H3,(H,26,27)
InChIKeyPNIIDCZZRYMAJZ-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.97
Rot. Bonds6

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346213) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine
PubChem CID139346213
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine
SMILESCc1nc(OC(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
InChIInChI=1S/C23H23FN6O2/c1-13(2)32-23-28-8-16(14(3)29-23)18-10-27-22(30-12-25-11-20(18)30)26-9-17-15-6-7-31-21(15)5-4-19(17)24/h4-5,8,10-13H,6-7,9H2,1-3H3,(H,26,27)
InChIKeyPNIIDCZZRYMAJZ-UHFFFAOYSA-N
XLogP3.97
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine (CID 139346213) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine is Cc1nc(OC(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is PNIIDCZZRYMAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-13(2)32-23-28-8-16(14(3)29-23)18-10-27-22(30-12-25-11-20(18)30)26-9-17-15-6-7-31-21(15)5-4-19(17)24/h4-5,8,10-13H,6-7,9H2,1-3H3,(H,26,27).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 434.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).