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

C20H17FN6O — CID 139346157

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylpyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine
SMILESCc1ncncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
InChIInChI=1S/C20H17FN6O/c1-12-14(6-22-10-26-12)16-8-25-20(27-11-23-9-18(16)27)24-7-15-13-4-5-28-19(13)3-2-17(15)21/h2-3,6,8-11H,4-5,7H2,1H3,(H,24,25)
InChIKeyKARBWWDFFRFWHY-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.18
Rot. Bonds4

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

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylpyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346157) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylpyrimidin-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-methylpyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine
PubChem CID139346157
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylpyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine
SMILESCc1ncncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
InChIInChI=1S/C20H17FN6O/c1-12-14(6-22-10-26-12)16-8-25-20(27-11-23-9-18(16)27)24-7-15-13-4-5-28-19(13)3-2-17(15)21/h2-3,6,8-11H,4-5,7H2,1H3,(H,24,25)
InChIKeyKARBWWDFFRFWHY-UHFFFAOYSA-N
XLogP3.18
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methylpyrimidin-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-methylpyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine (CID 139346157) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylpyrimidin-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-methylpyrimidin-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-methylpyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine is Cc1ncncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylpyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is KARBWWDFFRFWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-12-14(6-22-10-26-12)16-8-25-20(27-11-23-9-18(16)27)24-7-15-13-4-5-28-19(13)3-2-17(15)21/h2-3,6,8-11H,4-5,7H2,1H3,(H,24,25).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylpyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylpyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 376.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-methylpyrimidin-5-yl)imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).