N-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride

C24H29ClN4O2 — CID 146059804

IUPACN-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride
SMILESCOc1cccc(Nc2ncc3c(n2)CCN(Cc2ccc(OC(C)C)cc2)C3)c1.Cl
InChIInChI=1S/C24H28N4O2.ClH/c1-17(2)30-21-9-7-18(8-10-21)15-28-12-11-23-19(16-28)14-25-24(27-23)26-20-5-4-6-22(13-20)29-3;/h4-10,13-14,17H,11-12,15-16H2,1-3H3,(H,25,26,27);1H
InChIKeyLMVUWTBVIMNDMG-UHFFFAOYSA-N
MW440.98 g/mol
LogP5.00
Rot. Bonds7

About N-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride

N-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride (PubChem CID 146059804) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride
PubChem CID146059804
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC NameN-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride
SMILESCOc1cccc(Nc2ncc3c(n2)CCN(Cc2ccc(OC(C)C)cc2)C3)c1.Cl
InChIInChI=1S/C24H28N4O2.ClH/c1-17(2)30-21-9-7-18(8-10-21)15-28-12-11-23-19(16-28)14-25-24(27-23)26-20-5-4-6-22(13-20)29-3;/h4-10,13-14,17H,11-12,15-16H2,1-3H3,(H,25,26,27);1H
InChIKeyLMVUWTBVIMNDMG-UHFFFAOYSA-N
XLogP5.00
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The IUPAC name of N-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride (CID 146059804) is N-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for N-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for N-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride is COc1cccc(Nc2ncc3c(n2)CCN(Cc2ccc(OC(C)C)cc2)C3)c1.Cl.
What is the InChIKey of N-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The InChIKey is LMVUWTBVIMNDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2.ClH/c1-17(2)30-21-9-7-18(8-10-21)15-28-12-11-23-19(16-28)14-25-24(27-23)26-20-5-4-6-22(13-20)29-3;/h4-10,13-14,17H,11-12,15-16H2,1-3H3,(H,25,26,27);1H.
What are the key properties of N-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
N-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride has a molecular weight of 440.98 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-[(4-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 146059804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).