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

C18H25N3 — CID 63487149

IUPAC6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(Cc2ccc(C)cc2)n1
InChIInChI=1S/C18H25N3/c1-6-19-16-12-15(18(3,4)5)20-17(21-16)11-14-9-7-13(2)8-10-14/h7-10,12H,6,11H2,1-5H3,(H,19,20,21)
InChIKeyDCYDUKHWFNRAJH-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.11
Rot. Bonds4

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

6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 63487149) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID63487149
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(Cc2ccc(C)cc2)n1
InChIInChI=1S/C18H25N3/c1-6-19-16-12-15(18(3,4)5)20-17(21-16)11-14-9-7-13(2)8-10-14/h7-10,12H,6,11H2,1-5H3,(H,19,20,21)
InChIKeyDCYDUKHWFNRAJH-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine (CID 63487149) is 6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine is CCNc1cc(C(C)(C)C)nc(Cc2ccc(C)cc2)n1.
What is the InChIKey of 6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is DCYDUKHWFNRAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-6-19-16-12-15(18(3,4)5)20-17(21-16)11-14-9-7-13(2)8-10-14/h7-10,12H,6,11H2,1-5H3,(H,19,20,21).
What are the key properties of 6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine?
6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 63487149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).