6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine

C21H31N5 — CID 141237974

IUPAC6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(NC2CC(C)(C)N(C)C(C)(C)C2)c1-c1ccccc1
InChIInChI=1S/C21H31N5/c1-14-17(15-10-8-7-9-11-15)18(25-19(22)23-14)24-16-12-20(2,3)26(6)21(4,5)13-16/h7-11,16H,12-13H2,1-6H3,(H3,22,23,24,25)
InChIKeySHFHTYNISJBOBW-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.10
Rot. Bonds3

About 6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine

6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine (PubChem CID 141237974) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine
PubChem CID141237974
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(NC2CC(C)(C)N(C)C(C)(C)C2)c1-c1ccccc1
InChIInChI=1S/C21H31N5/c1-14-17(15-10-8-7-9-11-15)18(25-19(22)23-14)24-16-12-20(2,3)26(6)21(4,5)13-16/h7-11,16H,12-13H2,1-6H3,(H3,22,23,24,25)
InChIKeySHFHTYNISJBOBW-UHFFFAOYSA-N
XLogP4.10
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine (CID 141237974) is 6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine is Cc1nc(N)nc(NC2CC(C)(C)N(C)C(C)(C)C2)c1-c1ccccc1.
What is the InChIKey of 6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine?
The InChIKey is SHFHTYNISJBOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-14-17(15-10-8-7-9-11-15)18(25-19(22)23-14)24-16-12-20(2,3)26(6)21(4,5)13-16/h7-11,16H,12-13H2,1-6H3,(H3,22,23,24,25).
What are the key properties of 6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine?
6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine has a molecular weight of 353.51 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 141237974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).