5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine

C14H24N4 — CID 83185162

IUPAC5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine
SMILESCc1nc(N(C)C2CC2)ncc1CNC(C)(C)C
InChIInChI=1S/C14H24N4/c1-10-11(9-16-14(2,3)4)8-15-13(17-10)18(5)12-6-7-12/h8,12,16H,6-7,9H2,1-5H3
InChIKeyNVTZEXKXMKZWNN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds4

About 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine

5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine (PubChem CID 83185162) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine
PubChem CID83185162
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine
SMILESCc1nc(N(C)C2CC2)ncc1CNC(C)(C)C
InChIInChI=1S/C14H24N4/c1-10-11(9-16-14(2,3)4)8-15-13(17-10)18(5)12-6-7-12/h8,12,16H,6-7,9H2,1-5H3
InChIKeyNVTZEXKXMKZWNN-UHFFFAOYSA-N
XLogP2.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine (CID 83185162) is 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine is Cc1nc(N(C)C2CC2)ncc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine?
The InChIKey is NVTZEXKXMKZWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10-11(9-16-14(2,3)4)8-15-13(17-10)18(5)12-6-7-12/h8,12,16H,6-7,9H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine?
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 83185162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).