N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine

C17H24N4 — CID 80657417

IUPACN-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN(C)Cc2ccccc2C)n1
InChIInChI=1S/C17H24N4/c1-5-18-16-10-14(3)19-17(20-16)12-21(4)11-15-9-7-6-8-13(15)2/h6-10H,5,11-12H2,1-4H3,(H,18,19,20)
InChIKeyIHWPMNUXQFTANU-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.16
Rot. Bonds6

About N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine

N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine (PubChem CID 80657417) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine
PubChem CID80657417
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN(C)Cc2ccccc2C)n1
InChIInChI=1S/C17H24N4/c1-5-18-16-10-14(3)19-17(20-16)12-21(4)11-15-9-7-6-8-13(15)2/h6-10H,5,11-12H2,1-4H3,(H,18,19,20)
InChIKeyIHWPMNUXQFTANU-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine (CID 80657417) is N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine is CCNc1cc(C)nc(CN(C)Cc2ccccc2C)n1.
What is the InChIKey of N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine?
The InChIKey is IHWPMNUXQFTANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-18-16-10-14(3)19-17(20-16)12-21(4)11-15-9-7-6-8-13(15)2/h6-10H,5,11-12H2,1-4H3,(H,18,19,20).
What are the key properties of N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine?
N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 80657417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).