6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C22H26N6 — CID 112919208

IUPAC6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccn2)nc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C22H26N6/c1-17-15-21(24-16-19-7-3-4-12-23-19)27-22(25-17)26-18-8-10-20(11-9-18)28-13-5-2-6-14-28/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H2,24,25,26,27)
InChIKeyUSILVAASNXGICQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.53
Rot. Bonds6

About 6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112919208) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112919208
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccn2)nc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C22H26N6/c1-17-15-21(24-16-19-7-3-4-12-23-19)27-22(25-17)26-18-8-10-20(11-9-18)28-13-5-2-6-14-28/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H2,24,25,26,27)
InChIKeyUSILVAASNXGICQ-UHFFFAOYSA-N
XLogP4.53
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-N-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919143
6-methyl-4-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919365
6-methyl-2-N-(4-propan-2-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919161
2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919180
6-methyl-4-N-(2-phenylethyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112920129
6-methyl-4-N-[(3-methylphenyl)methyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112916171
2-N-(3,4-difluorophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919248
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112919106
2-N-benzyl-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112915742
4-N-(2-chlorophenyl)-6-methyl-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112929623
ethyl 4-[[4-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]benzoate
CID 112919225
6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931777

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112919208) is 6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(NCc2ccccn2)nc(Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is USILVAASNXGICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-17-15-21(24-16-19-7-3-4-12-23-19)27-22(25-17)26-18-8-10-20(11-9-18)28-13-5-2-6-14-28/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H2,24,25,26,27).
What are the key properties of 6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 374.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112919208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).