5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine

C12H21N3 — CID 62191080

IUPAC5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCCc1c(C)nc(CC(C)C)nc1NC
InChIInChI=1S/C12H21N3/c1-6-10-9(4)14-11(7-8(2)3)15-12(10)13-5/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyYCWOXRSKGZKIOX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.59
Rot. Bonds4

About 5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine

5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 62191080) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine
PubChem CID62191080
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCCc1c(C)nc(CC(C)C)nc1NC
InChIInChI=1S/C12H21N3/c1-6-10-9(4)14-11(7-8(2)3)15-12(10)13-5/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyYCWOXRSKGZKIOX-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine (CID 62191080) is 5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine is CCc1c(C)nc(CC(C)C)nc1NC.
What is the InChIKey of 5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is YCWOXRSKGZKIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-6-10-9(4)14-11(7-8(2)3)15-12(10)13-5/h8H,6-7H2,1-5H3,(H,13,14,15).
What are the key properties of 5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine?
5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 62191080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).