N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine

C17H22N4 — CID 80755883

IUPACN,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
SMILESCNc1nc(C)nc(N2CCCc3cc(C)ccc32)c1C
InChIInChI=1S/C17H22N4/c1-11-7-8-15-14(10-11)6-5-9-21(15)17-12(2)16(18-4)19-13(3)20-17/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,20)
InChIKeyDTDZRPMDUDSPJY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.53
Rot. Bonds2

About N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine

N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine (PubChem CID 80755883) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
PubChem CID80755883
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
SMILESCNc1nc(C)nc(N2CCCc3cc(C)ccc32)c1C
InChIInChI=1S/C17H22N4/c1-11-7-8-15-14(10-11)6-5-9-21(15)17-12(2)16(18-4)19-13(3)20-17/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,20)
InChIKeyDTDZRPMDUDSPJY-UHFFFAOYSA-N
XLogP3.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine (CID 80755883) is N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine is CNc1nc(C)nc(N2CCCc3cc(C)ccc32)c1C.
What is the InChIKey of N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine?
The InChIKey is DTDZRPMDUDSPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11-7-8-15-14(10-11)6-5-9-21(15)17-12(2)16(18-4)19-13(3)20-17/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,20).
What are the key properties of N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine?
N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80755883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).