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

C22H25N5O — CID 25033496

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc([C@@H](C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1
InChIInChI=1S/C22H25N5O/c1-15-4-9-21(23-12-15)27-11-10-20-19(13-27)22(25-14-24-20)26-16(2)17-5-7-18(28-3)8-6-17/h4-9,12,14,16H,10-11,13H2,1-3H3,(H,24,25,26)/t16-/m1/s1
InChIKeyYGIOSPPWRLVBJP-MRXNPFEDSA-N
MW375.48 g/mol
LogP3.92
Rot. Bonds5

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

N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 25033496) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID25033496
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc([C@@H](C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1
InChIInChI=1S/C22H25N5O/c1-15-4-9-21(23-12-15)27-11-10-20-19(13-27)22(25-14-24-20)26-16(2)17-5-7-18(28-3)8-6-17/h4-9,12,14,16H,10-11,13H2,1-3H3,(H,24,25,26)/t16-/m1/s1
InChIKeyYGIOSPPWRLVBJP-MRXNPFEDSA-N
XLogP3.92
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 25033496) is N-[(1R)-1-(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-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is COc1ccc([C@@H](C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is YGIOSPPWRLVBJP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-4-9-21(23-12-15)27-11-10-20-19(13-27)22(25-14-24-20)26-16(2)17-5-7-18(28-3)8-6-17/h4-9,12,14,16H,10-11,13H2,1-3H3,(H,24,25,26)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25033496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).