2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride

C20H27Cl3N8 — CID 90456696

IUPAC2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
SMILESCCCNc1nc(NCc2ccc(Cl)c(Cl)c2)nc2c(NCCC)nc(NC)nc12.Cl
InChIInChI=1S/C20H26Cl2N8.ClH/c1-4-8-24-17-16-15(27-19(23-3)29-17)18(25-9-5-2)30-20(28-16)26-11-12-6-7-13(21)14(22)10-12;/h6-7,10H,4-5,8-9,11H2,1-3H3,(H2,23,24,27,29)(H2,25,26,28,30);1H
InChIKeyAVOSXAJVOOQRJC-UHFFFAOYSA-N
MW485.85 g/mol
LogP5.45
Rot. Bonds10

About 2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride

2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride (PubChem CID 90456696) has the molecular formula C20H27Cl3N8 and a molecular weight of 485.85 g/mol. Its IUPAC name is 2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride.

Molecular Properties

Compound Name2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
PubChem CID90456696
Molecular FormulaC20H27Cl3N8
Molecular Weight485.85 g/mol
Exact Mass484.14
IUPAC Name2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
SMILESCCCNc1nc(NCc2ccc(Cl)c(Cl)c2)nc2c(NCCC)nc(NC)nc12.Cl
InChIInChI=1S/C20H26Cl2N8.ClH/c1-4-8-24-17-16-15(27-19(23-3)29-17)18(25-9-5-2)30-20(28-16)26-11-12-6-7-13(21)14(22)10-12;/h6-7,10H,4-5,8-9,11H2,1-3H3,(H2,23,24,27,29)(H2,25,26,28,30);1H
InChIKeyAVOSXAJVOOQRJC-UHFFFAOYSA-N
XLogP5.45
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.85
LogP ≤ 55.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride?
The IUPAC name of 2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride (CID 90456696) is 2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride.
What is the SMILES notation for 2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride?
The canonical SMILES for 2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride is CCCNc1nc(NCc2ccc(Cl)c(Cl)c2)nc2c(NCCC)nc(NC)nc12.Cl.
What is the InChIKey of 2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride?
The InChIKey is AVOSXAJVOOQRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N8.ClH/c1-4-8-24-17-16-15(27-19(23-3)29-17)18(25-9-5-2)30-20(28-16)26-11-12-6-7-13(21)14(22)10-12;/h6-7,10H,4-5,8-9,11H2,1-3H3,(H2,23,24,27,29)(H2,25,26,28,30);1H.
What are the key properties of 2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride?
2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride has a molecular weight of 485.85 g/mol, XLogP of 5.45, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride is sourced from PubChem (CID 90456696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).