4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine

C16H22N4 — CID 62286715

IUPAC4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine
SMILESCc1ccccc1N(C)c1cnc(C(C)C)nc1CN
InChIInChI=1S/C16H22N4/c1-11(2)16-18-10-15(13(9-17)19-16)20(4)14-8-6-5-7-12(14)3/h5-8,10-11H,9,17H2,1-4H3
InChIKeyTVDHNXHAJKVTLE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.14
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine

4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine (PubChem CID 62286715) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine
PubChem CID62286715
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine
SMILESCc1ccccc1N(C)c1cnc(C(C)C)nc1CN
InChIInChI=1S/C16H22N4/c1-11(2)16-18-10-15(13(9-17)19-16)20(4)14-8-6-5-7-12(14)3/h5-8,10-11H,9,17H2,1-4H3
InChIKeyTVDHNXHAJKVTLE-UHFFFAOYSA-N
XLogP3.14
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine (CID 62286715) is 4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine is Cc1ccccc1N(C)c1cnc(C(C)C)nc1CN.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is TVDHNXHAJKVTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)16-18-10-15(13(9-17)19-16)20(4)14-8-6-5-7-12(14)3/h5-8,10-11H,9,17H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine?
4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 270.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 62286715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).