2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C21H26N6 — CID 112919519

IUPAC2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(C)cc(NCc3cccnc3)n2)cc1
InChIInChI=1S/C21H26N6/c1-4-27(5-2)19-10-8-18(9-11-19)25-21-24-16(3)13-20(26-21)23-15-17-7-6-12-22-14-17/h6-14H,4-5,15H2,1-3H3,(H2,23,24,25,26)
InChIKeyVVFFHVXBHXKVLC-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.38
Rot. Bonds8

About 2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112919519) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112919519
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(C)cc(NCc3cccnc3)n2)cc1
InChIInChI=1S/C21H26N6/c1-4-27(5-2)19-10-8-18(9-11-19)25-21-24-16(3)13-20(26-21)23-15-17-7-6-12-22-14-17/h6-14H,4-5,15H2,1-3H3,(H2,23,24,25,26)
InChIKeyVVFFHVXBHXKVLC-UHFFFAOYSA-N
XLogP4.38
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.38
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-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919456
2-N-(4-chlorophenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919484
4-[[4-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112919557
N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112919668
2-N-tert-butyl-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919442
6-methyl-4-N-(pyridin-3-ylmethyl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112919540
2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112912898
2-N-(2,3-dimethylphenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919468
6-methyl-2-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112919664
6-methyl-4-N-prop-2-enyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112907721
4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112908111
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 112919519) is 2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is CCN(CC)c1ccc(Nc2nc(C)cc(NCc3cccnc3)n2)cc1.
What is the InChIKey of 2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is VVFFHVXBHXKVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-4-27(5-2)19-10-8-18(9-11-19)25-21-24-16(3)13-20(26-21)23-15-17-7-6-12-22-14-17/h6-14H,4-5,15H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112919519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).