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

C15H15N5 — CID 70525378

IUPAC5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(Cc2cnc(N)nc2N)c2ccccc2n1
InChIInChI=1S/C15H15N5/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)
InChIKeyKKOQFVVIIOZJOU-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.09
Rot. Bonds2

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

5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 70525378) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID70525378
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(Cc2cnc(N)nc2N)c2ccccc2n1
InChIInChI=1S/C15H15N5/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)
InChIKeyKKOQFVVIIOZJOU-UHFFFAOYSA-N
XLogP2.09
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 70525377
(2-methylquinolin-4-yl)methanethiol
CID 79885955
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
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
4-(isocyanomethyl)-2-methylquinoline
CID 83482593
4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine
CID 79235535
5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10828475
5-[(3-ethoxy-4-iodo-5-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 22636806

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine (CID 70525378) is 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(Cc2cnc(N)nc2N)c2ccccc2n1.
What is the InChIKey of 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KKOQFVVIIOZJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/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).
What are the key properties of 5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine?
5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 265.32 g/mol, XLogP of 2.09, 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 is sourced from PubChem (CID 70525378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).