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

C21H18FN5O — CID 139346168

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)ccn1
InChIInChI=1S/C21H18FN5O/c1-13-8-14(4-6-24-13)16-9-25-21(27-12-23-11-19(16)27)26-10-17-15-5-7-28-20(15)3-2-18(17)22/h2-4,6,8-9,11-12H,5,7,10H2,1H3,(H,25,26)
InChIKeyDMCMUHXCIDQFES-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.79
Rot. Bonds4

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

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346168) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
PubChem CID139346168
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)ccn1
InChIInChI=1S/C21H18FN5O/c1-13-8-14(4-6-24-13)16-9-25-21(27-12-23-11-19(16)27)26-10-17-15-5-7-28-20(15)3-2-18(17)22/h2-4,6,8-9,11-12H,5,7,10H2,1H3,(H,25,26)
InChIKeyDMCMUHXCIDQFES-UHFFFAOYSA-N
XLogP3.79
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(2-methyl-4-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine (CID 139346168) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-pyridinyl)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-(2-methyl-4-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)ccn1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is DMCMUHXCIDQFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-13-8-14(4-6-24-13)16-9-25-21(27-12-23-11-19(16)27)26-10-17-15-5-7-28-20(15)3-2-18(17)22/h2-4,6,8-9,11-12H,5,7,10H2,1H3,(H,25,26).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 375.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).