2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine

C18H18N8 — CID 165428599

IUPAC2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine
SMILESCc1cn(CCn2ccnc2-c2cccc(-c3nccc(N)n3)c2)nn1
InChIInChI=1S/C18H18N8/c1-13-12-26(24-23-13)10-9-25-8-7-21-18(25)15-4-2-3-14(11-15)17-20-6-5-16(19)22-17/h2-8,11-12H,9-10H2,1H3,(H2,19,20,22)
InChIKeyBEGHJTGGAHPKLX-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.19
Rot. Bonds5

About 2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine

2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine (PubChem CID 165428599) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine
PubChem CID165428599
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine
SMILESCc1cn(CCn2ccnc2-c2cccc(-c3nccc(N)n3)c2)nn1
InChIInChI=1S/C18H18N8/c1-13-12-26(24-23-13)10-9-25-8-7-21-18(25)15-4-2-3-14(11-15)17-20-6-5-16(19)22-17/h2-8,11-12H,9-10H2,1H3,(H2,19,20,22)
InChIKeyBEGHJTGGAHPKLX-UHFFFAOYSA-N
XLogP2.19
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole
CID 70750809
2-(2-methylphenyl)-5-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]-1,3-thiazole
CID 70722060
3-(1-butylimidazol-2-yl)aniline
CID 60813678
2-(1-ethylimidazol-2-yl)pyrimidin-4-amine
CID 116795267
3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol
CID 56868715
3-[1-(3-methylsulfonylpropyl)imidazol-2-yl]aniline
CID 63191637
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354
4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
CID 50985644
3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline
CID 107042816
3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline
CID 103409739
3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide
CID 60812856
3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline
CID 82866200

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine?
The IUPAC name of 2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine (CID 165428599) is 2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine is Cc1cn(CCn2ccnc2-c2cccc(-c3nccc(N)n3)c2)nn1.
What is the InChIKey of 2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine?
The InChIKey is BEGHJTGGAHPKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c1-13-12-26(24-23-13)10-9-25-8-7-21-18(25)15-4-2-3-14(11-15)17-20-6-5-16(19)22-17/h2-8,11-12H,9-10H2,1H3,(H2,19,20,22).
What are the key properties of 2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine?
2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine has a molecular weight of 346.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine is sourced from PubChem (CID 165428599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).