6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile

C16H16N4 — CID 115143303

IUPAC6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(NCc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C16H16N4/c1-11-19-15(9-17)8-16(20-11)18-10-12-5-6-13-3-2-4-14(13)7-12/h5-8H,2-4,10H2,1H3,(H,18,19,20)
InChIKeyXCTFMVXRUUOIPS-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.76
Rot. Bonds3

About 6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile

6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile (PubChem CID 115143303) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile
PubChem CID115143303
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(NCc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C16H16N4/c1-11-19-15(9-17)8-16(20-11)18-10-12-5-6-13-3-2-4-14(13)7-12/h5-8H,2-4,10H2,1H3,(H,18,19,20)
InChIKeyXCTFMVXRUUOIPS-UHFFFAOYSA-N
XLogP2.76
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-bromophenyl)methylamino]-2-methylpyrimidine-4-carbonitrile
CID 115143328
2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile
CID 116857857
2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115143317
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpropanenitrile
CID 115129260
4-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 62481548
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 105358167
6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile
CID 115143301
N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine
CID 80880083
2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile
CID 63939427
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-5-fluorobenzonitrile
CID 79034163
5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methoxybenzonitrile
CID 65336582

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile (CID 115143303) is 6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile is Cc1nc(C#N)cc(NCc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile?
The InChIKey is XCTFMVXRUUOIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-19-15(9-17)8-16(20-11)18-10-12-5-6-13-3-2-4-14(13)7-12/h5-8H,2-4,10H2,1H3,(H,18,19,20).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile?
6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 115143303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).