6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile

C16H16N4 — CID 107544308

IUPAC6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCCc3ccccc32)n1
InChIInChI=1S/C16H16N4/c1-11-9-13(10-17)19-16(18-11)20-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9,15H,4,6,8H2,1H3,(H,18,19,20)
InChIKeyLALDNDZTVHBDMA-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.15
Rot. Bonds2

About 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile

6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile (PubChem CID 107544308) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile
PubChem CID107544308
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCCc3ccccc32)n1
InChIInChI=1S/C16H16N4/c1-11-9-13(10-17)19-16(18-11)20-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9,15H,4,6,8H2,1H3,(H,18,19,20)
InChIKeyLALDNDZTVHBDMA-UHFFFAOYSA-N
XLogP3.15
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 115626948
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid
CID 107553354
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carbonitrile
CID 62306461
5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazine-2-carbonitrile
CID 63659094
4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 67456420
4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile
CID 127034668
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile
CID 133498362
2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544744
1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile
CID 63756476
6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile
CID 107544746
6-ethyl-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
CID 67072813
2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545212

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile (CID 107544308) is 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NC2CCCc3ccccc32)n1.
What is the InChIKey of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile?
The InChIKey is LALDNDZTVHBDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-9-13(10-17)19-16(18-11)20-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9,15H,4,6,8H2,1H3,(H,18,19,20).
What are the key properties of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile?
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).