5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride

C15H17Cl2N5 — CID 70525377

IUPAC5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
SMILESCc1cc(Cc2cnc(N)nc2N)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C15H15N5.2ClH/c1-9-6-10(12-4-2-3-5-13(12)19-9)7-11-8-18-15(17)20-14(11)16;;/h2-6,8H,7H2,1H3,(H4,16,17,18,20);2*1H
InChIKeyQEKKWXXBJUIAPJ-UHFFFAOYSA-N
MW338.24 g/mol
LogP2.93
Rot. Bonds2

About 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride

5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride (PubChem CID 70525377) has the molecular formula C15H17Cl2N5 and a molecular weight of 338.24 g/mol. Its IUPAC name is 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
PubChem CID70525377
Molecular FormulaC15H17Cl2N5
Molecular Weight338.24 g/mol
Exact Mass337.09
IUPAC Name5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
SMILESCc1cc(Cc2cnc(N)nc2N)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C15H15N5.2ClH/c1-9-6-10(12-4-2-3-5-13(12)19-9)7-11-8-18-15(17)20-14(11)16;;/h2-6,8H,7H2,1H3,(H4,16,17,18,20);2*1H
InChIKeyQEKKWXXBJUIAPJ-UHFFFAOYSA-N
XLogP2.93
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine
CID 70525378
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
(2-methylquinolin-4-yl)methanethiol
CID 79885955
1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine
CID 79235165
5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 10752197
5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10562267
2-methylquinolin-4-amine
CID 162035180
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
5-[(4-amino-3-methoxynaphthalen-1-yl)methyl]pyrimidine-2,4-diamine;2-methoxy-1-nitronaphthalene;dihydrochloride
CID 161456409
5-[(8-amino-7-methoxyquinolin-5-yl)methyl]pyrimidine-2,4-diamine;5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]pyrimidine-2,4-diamine;tetrahydrochloride
CID 161356263
4-(isocyanomethyl)-2-methylquinoline
CID 83482593
5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10828475

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride?
The IUPAC name of 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride (CID 70525377) is 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride?
The canonical SMILES for 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride is Cc1cc(Cc2cnc(N)nc2N)c2ccccc2n1.Cl.Cl.
What is the InChIKey of 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride?
The InChIKey is QEKKWXXBJUIAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5.2ClH/c1-9-6-10(12-4-2-3-5-13(12)19-9)7-11-8-18-15(17)20-14(11)16;;/h2-6,8H,7H2,1H3,(H4,16,17,18,20);2*1H.
What are the key properties of 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride?
5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride has a molecular weight of 338.24 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 70525377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).