1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine

C14H16N5+ — CID 21239033

IUPAC1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine
SMILESCc1cc(C)n2cc(C[n+]3ccccc3N)nc2n1
InChIInChI=1S/C14H15N5/c1-10-7-11(2)19-9-12(17-14(19)16-10)8-18-6-4-3-5-13(18)15/h3-7,9,15H,8H2,1-2H3/p+1
InChIKeyYIGSGLXAEUAJMF-UHFFFAOYSA-O
MW254.32 g/mol
LogP1.26
Rot. Bonds2

About 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine

1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine (PubChem CID 21239033) has the molecular formula C14H16N5+ and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine.

Molecular Properties

Compound Name1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine
PubChem CID21239033
Molecular FormulaC14H16N5+
Molecular Weight254.32 g/mol
Exact Mass254.14
IUPAC Name1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine
SMILESCc1cc(C)n2cc(C[n+]3ccccc3N)nc2n1
InChIInChI=1S/C14H15N5/c1-10-7-11(2)19-9-12(17-14(19)16-10)8-18-6-4-3-5-13(18)15/h3-7,9,15H,8H2,1-2H3/p+1
InChIKeyYIGSGLXAEUAJMF-UHFFFAOYSA-O
XLogP1.26
TPSA60.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methanethiol
CID 87896349
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine
CID 2473900
5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 23910306
(2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol
CID 99630819
2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol
CID 23790947
2-chloro-4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]aniline
CID 79131278
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate
CID 77060718
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol
CID 112695433
4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine
CID 23962445
5,7-dimethyl-2-naphthalen-1-ylimidazo[1,2-a]pyrimidine
CID 115281809
4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135473743
(1R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 41105580

Frequently Asked Questions

What is the IUPAC name of 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine?
The IUPAC name of 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine (CID 21239033) is 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine.
What is the SMILES notation for 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine?
The canonical SMILES for 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine is Cc1cc(C)n2cc(C[n+]3ccccc3N)nc2n1.
What is the InChIKey of 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine?
The InChIKey is YIGSGLXAEUAJMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15N5/c1-10-7-11(2)19-9-12(17-14(19)16-10)8-18-6-4-3-5-13(18)15/h3-7,9,15H,8H2,1-2H3/p+1.
What are the key properties of 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine?
1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine has a molecular weight of 254.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine is sourced from PubChem (CID 21239033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).