N,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

C18H25N5 — CID 56740919

IUPACN,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1ccccc1C(CNc1ncnc2c1CCNC2)N(C)C
InChIInChI=1S/C18H25N5/c1-13-6-4-5-7-14(13)17(23(2)3)11-20-18-15-8-9-19-10-16(15)21-12-22-18/h4-7,12,17,19H,8-11H2,1-3H3,(H,20,21,22)
InChIKeyVSGOLEXIBQSUFI-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.15
Rot. Bonds5

About N,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

N,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 56740919) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID56740919
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1ccccc1C(CNc1ncnc2c1CCNC2)N(C)C
InChIInChI=1S/C18H25N5/c1-13-6-4-5-7-14(13)17(23(2)3)11-20-18-15-8-9-19-10-16(15)21-12-22-18/h4-7,12,17,19H,8-11H2,1-3H3,(H,20,21,22)
InChIKeyVSGOLEXIBQSUFI-UHFFFAOYSA-N
XLogP2.15
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 56740919) is N,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is Cc1ccccc1C(CNc1ncnc2c1CCNC2)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is VSGOLEXIBQSUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-13-6-4-5-7-14(13)17(23(2)3)11-20-18-15-8-9-19-10-16(15)21-12-22-18/h4-7,12,17,19H,8-11H2,1-3H3,(H,20,21,22).
What are the key properties of N,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
N,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 311.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methylphenyl)-N'-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 56740919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).