6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine

C14H26N4 — CID 79089262

IUPAC6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc(CN(C)C)n1
InChIInChI=1S/C14H26N4/c1-7-8-15-12-9-11(14(2,3)4)16-13(17-12)10-18(5)6/h9H,7-8,10H2,1-6H3,(H,15,16,17)
InChIKeySQNSBPDEUOMKEC-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.66
Rot. Bonds5

About 6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine

6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine (PubChem CID 79089262) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
PubChem CID79089262
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc(CN(C)C)n1
InChIInChI=1S/C14H26N4/c1-7-8-15-12-9-11(14(2,3)4)16-13(17-12)10-18(5)6/h9H,7-8,10H2,1-6H3,(H,15,16,17)
InChIKeySQNSBPDEUOMKEC-UHFFFAOYSA-N
XLogP2.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine (CID 79089262) is 6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)(C)C)nc(CN(C)C)n1.
What is the InChIKey of 6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine?
The InChIKey is SQNSBPDEUOMKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-7-8-15-12-9-11(14(2,3)4)16-13(17-12)10-18(5)6/h9H,7-8,10H2,1-6H3,(H,15,16,17).
What are the key properties of 6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine?
6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79089262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).