2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile

C16H18N6 — CID 169397053

IUPAC2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile
SMILESCCN1CCCc2cc(-c3nc(N)nc(N)c3C#N)ccc21
InChIInChI=1S/C16H18N6/c1-2-22-7-3-4-10-8-11(5-6-13(10)22)14-12(9-17)15(18)21-16(19)20-14/h5-6,8H,2-4,7H2,1H3,(H4,18,19,20,21)
InChIKeyBABGIDPSBHPPQL-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.95
Rot. Bonds2

About 2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile

2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile (PubChem CID 169397053) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile
PubChem CID169397053
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile
SMILESCCN1CCCc2cc(-c3nc(N)nc(N)c3C#N)ccc21
InChIInChI=1S/C16H18N6/c1-2-22-7-3-4-10-8-11(5-6-13(10)22)14-12(9-17)15(18)21-16(19)20-14/h5-6,8H,2-4,7H2,1H3,(H4,18,19,20,21)
InChIKeyBABGIDPSBHPPQL-UHFFFAOYSA-N
XLogP1.95
TPSA104.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-diamino-6-(1-prop-2-enyl-2,3-dihydroindol-5-yl)pyrimidine-5-carbonitrile
CID 169397169
2,4-diamino-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile
CID 169397288
2,4-diamino-6-[3-(bromomethyl)-4-fluorophenyl]pyrimidine-5-carbonitrile
CID 169398795
1-ethyl-6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinoline
CID 130440298
2,4-diamino-6-(3-ethoxy-4-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396033
2,4-diamino-6-[3-fluoro-4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrimidine-5-carbonitrile
CID 169396631
2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile
CID 169396983
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
2,4-diamino-6-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyrimidine-5-carbonitrile
CID 169396639
2,4-diamino-6-(4-butoxy-3-methylphenyl)pyrimidine-5-carbonitrile
CID 169396506
2,4-diamino-6-(3-bromo-4-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396130
2,4-diamino-6-[4-(4-ethylphenoxy)phenyl]pyrimidine-5-carbonitrile
CID 169398736

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile (CID 169397053) is 2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile is CCN1CCCc2cc(-c3nc(N)nc(N)c3C#N)ccc21.
What is the InChIKey of 2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile?
The InChIKey is BABGIDPSBHPPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-2-22-7-3-4-10-8-11(5-6-13(10)22)14-12(9-17)15(18)21-16(19)20-14/h5-6,8H,2-4,7H2,1H3,(H4,18,19,20,21).
What are the key properties of 2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile?
2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 169397053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).