2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine

C21H34N6 — CID 117088869

IUPAC2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2cccc(N(C)C)c2)nc1NCCN(C(C)C)C(C)C
InChIInChI=1S/C21H34N6/c1-15(2)27(16(3)4)12-11-22-20-17(5)14-23-21(25-20)24-18-9-8-10-19(13-18)26(6)7/h8-10,13-16H,11-12H2,1-7H3,(H2,22,23,24,25)
InChIKeyUPLDGTBTPYUHRW-UHFFFAOYSA-N
MW370.55 g/mol
LogP4.13
Rot. Bonds9

About 2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine

2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 117088869) has the molecular formula C21H34N6 and a molecular weight of 370.55 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine
PubChem CID117088869
Molecular FormulaC21H34N6
Molecular Weight370.55 g/mol
Exact Mass370.28
IUPAC Name2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2cccc(N(C)C)c2)nc1NCCN(C(C)C)C(C)C
InChIInChI=1S/C21H34N6/c1-15(2)27(16(3)4)12-11-22-20-17(5)14-23-21(25-20)24-18-9-8-10-19(13-18)26(6)7/h8-10,13-16H,11-12H2,1-7H3,(H2,22,23,24,25)
InChIKeyUPLDGTBTPYUHRW-UHFFFAOYSA-N
XLogP4.13
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 117088563
4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine
CID 117091195
9-cyclohexyl-2-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]purine-2,6-diamine
CID 117079829
4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-isoquinolin-1-yl-5-methylpyrimidine-2,4-diamine
CID 117088919
8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine
CID 117091695
4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 117088798
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80832239
2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol
CID 117086718
3-[[4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-methylpyrimidin-2-yl]amino]benzenesulfonyl fluoride
CID 142188400
4-N-[(2Z,4Z)-4-ethylhepta-2,4,6-trienyl]-2-N-[3-[ethyl-[2-(methylamino)ethyl]amino]phenyl]-5-methylpyrimidine-2,4-diamine
CID 143453225
4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
CID 91476448
2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
CID 106042113

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine (CID 117088869) is 2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine is Cc1cnc(Nc2cccc(N(C)C)c2)nc1NCCN(C(C)C)C(C)C.
What is the InChIKey of 2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is UPLDGTBTPYUHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6/c1-15(2)27(16(3)4)12-11-22-20-17(5)14-23-21(25-20)24-18-9-8-10-19(13-18)26(6)7/h8-10,13-16H,11-12H2,1-7H3,(H2,22,23,24,25).
What are the key properties of 2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine?
2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 370.55 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 117088869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).