[5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine

C14H12Cl2N4 — CID 11716483

IUPAC[5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2nccn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C14H12Cl2N4/c1-8-11(7-17)13(20-5-4-18-14(20)19-8)10-3-2-9(15)6-12(10)16/h2-6H,7,17H2,1H3
InChIKeyBAFHWLWTSRRYMX-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.47
Rot. Bonds2

About [5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine

[5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine (PubChem CID 11716483) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
PubChem CID11716483
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name[5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2nccn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C14H12Cl2N4/c1-8-11(7-17)13(20-5-4-18-14(20)19-8)10-3-2-9(15)6-12(10)16/h2-6H,7,17H2,1H3
InChIKeyBAFHWLWTSRRYMX-UHFFFAOYSA-N
XLogP3.47
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46900258
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CID 86277841
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CID 2766552
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CID 44563262
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CID 204149
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CID 5329423
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CID 6538792
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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine (CID 11716483) is [5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine is Cc1nc2nccn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of [5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The InChIKey is BAFHWLWTSRRYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c1-8-11(7-17)13(20-5-4-18-14(20)19-8)10-3-2-9(15)6-12(10)16/h2-6H,7,17H2,1H3.
What are the key properties of [5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
[5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine has a molecular weight of 307.18 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11716483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).