N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C22H24FN5O — CID 25033251

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C(C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1F
InChIInChI=1S/C22H24FN5O/c1-14-4-7-21(24-11-14)28-9-8-19-17(12-28)22(26-13-25-19)27-15(2)16-5-6-20(29-3)18(23)10-16/h4-7,10-11,13,15H,8-9,12H2,1-3H3,(H,25,26,27)
InChIKeyDQEIWRKPVLQBJW-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.06
Rot. Bonds5

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 25033251) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID25033251
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C(C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1F
InChIInChI=1S/C22H24FN5O/c1-14-4-7-21(24-11-14)28-9-8-19-17(12-28)22(26-13-25-19)27-15(2)16-5-6-20(29-3)18(23)10-16/h4-7,10-11,13,15H,8-9,12H2,1-3H3,(H,25,26,27)
InChIKeyDQEIWRKPVLQBJW-UHFFFAOYSA-N
XLogP4.06
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 25033251) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is COc1ccc(C(C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is DQEIWRKPVLQBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-14-4-7-21(24-11-14)28-9-8-19-17(12-28)22(26-13-25-19)27-15(2)16-5-6-20(29-3)18(23)10-16/h4-7,10-11,13,15H,8-9,12H2,1-3H3,(H,25,26,27).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 393.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25033251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).