5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine

C23H27N7 — CID 68949575

IUPAC5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine
SMILESCNc1nc(-c2cccc3ccccc23)nc(Nc2cc(C)[nH]n2)c1CCN(C)C
InChIInChI=1S/C23H27N7/c1-15-14-20(29-28-15)25-23-19(12-13-30(3)4)21(24-2)26-22(27-23)18-11-7-9-16-8-5-6-10-17(16)18/h5-11,14H,12-13H2,1-4H3,(H3,24,25,26,27,28,29)
InChIKeyMRTRGSUOWSHYDN-UHFFFAOYSA-N
MW401.52 g/mol
LogP4.22
Rot. Bonds7

About 5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine

5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine (PubChem CID 68949575) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine
PubChem CID68949575
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC Name5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine
SMILESCNc1nc(-c2cccc3ccccc23)nc(Nc2cc(C)[nH]n2)c1CCN(C)C
InChIInChI=1S/C23H27N7/c1-15-14-20(29-28-15)25-23-19(12-13-30(3)4)21(24-2)26-22(27-23)18-11-7-9-16-8-5-6-10-17(16)18/h5-11,14H,12-13H2,1-4H3,(H3,24,25,26,27,28,29)
InChIKeyMRTRGSUOWSHYDN-UHFFFAOYSA-N
XLogP4.22
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Enmd-2076
CID 16041424
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
1-Tert-butyl-3-naphthalen-1-ylpyrazolo(3,4-d)pyrimidin-4-amine
CID 4877
1-(1,1-Dimethylethyl)-3-(1-naphthalenylmethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 5154691
3-(Naphthalen-1-Ylmethyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 46398830
1-Tert-Butyl-3-Naphthalen-2-Yl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 5059890
3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11543481
N-Butyl-4,6-Dimethyl-N-{[2'-(2h-Tetrazol-5-Yl)biphenyl-4-Yl]methyl}pyrimidin-2-Amine
CID 15658026
1-(1-Methylethyl)-3-(Naphthalen-1-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 24864847
5,6-dimethyl-N-(2-naphthyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24882112
5-ethyl-N-(2-naphthyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24882196

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine (CID 68949575) is 5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine is CNc1nc(-c2cccc3ccccc23)nc(Nc2cc(C)[nH]n2)c1CCN(C)C.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine?
The InChIKey is MRTRGSUOWSHYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7/c1-15-14-20(29-28-15)25-23-19(12-13-30(3)4)21(24-2)26-22(27-23)18-11-7-9-16-8-5-6-10-17(16)18/h5-11,14H,12-13H2,1-4H3,(H3,24,25,26,27,28,29).
What are the key properties of 5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine?
5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine has a molecular weight of 401.52 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 68949575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).