2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile

C21H28N6 — CID 141237980

IUPAC2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile
SMILESCN1C(C)(C)CC(Nc2nc(N)nc(-c3ccccc3)c2C#N)CC1(C)C
InChIInChI=1S/C21H28N6/c1-20(2)11-15(12-21(3,4)27(20)5)24-18-16(13-22)17(25-19(23)26-18)14-9-7-6-8-10-14/h6-10,15H,11-12H2,1-5H3,(H3,23,24,25,26)
InChIKeyBRCIAFFJLPODCN-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.66
Rot. Bonds3

About 2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile

2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile (PubChem CID 141237980) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is 2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile
PubChem CID141237980
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC Name2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile
SMILESCN1C(C)(C)CC(Nc2nc(N)nc(-c3ccccc3)c2C#N)CC1(C)C
InChIInChI=1S/C21H28N6/c1-20(2)11-15(12-21(3,4)27(20)5)24-18-16(13-22)17(25-19(23)26-18)14-9-7-6-8-10-14/h6-10,15H,11-12H2,1-5H3,(H3,23,24,25,26)
InChIKeyBRCIAFFJLPODCN-UHFFFAOYSA-N
XLogP3.66
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine
CID 141237974
2-[[4-(2-methoxyethyl)-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile
CID 25176115
2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane
CID 156716151
2-amino-4-cyclopentyl-6-phenylpyrimidine-5-carbonitrile
CID 166636407
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
2-amino-4-butylsulfanyl-6-phenylpyrimidine-5-carbonitrile
CID 18507672
2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
CID 68665340
5-amino-2-methyl-6-phenylpyridine-3,4-dicarbonitrile
CID 71323044
2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile
CID 18507576
2-(cyclohexylamino)-4,6-diphenylpyridine-3-carbonitrile
CID 3439401
6-amino-2,4-diphenylpyridine-3-carbonitrile
CID 12686862
4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
CID 12862277

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile (CID 141237980) is 2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile is CN1C(C)(C)CC(Nc2nc(N)nc(-c3ccccc3)c2C#N)CC1(C)C.
What is the InChIKey of 2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is BRCIAFFJLPODCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-20(2)11-15(12-21(3,4)27(20)5)24-18-16(13-22)17(25-19(23)26-18)14-9-7-6-8-10-14/h6-10,15H,11-12H2,1-5H3,(H3,23,24,25,26).
What are the key properties of 2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile?
2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 364.50 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 141237980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).