2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine

C13H24N4 — CID 80994196

IUPAC2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(C)c1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C13H24N4/c1-7-8-17(6)11-9(2)10(14)15-12(16-11)13(3,4)5/h7-8H2,1-6H3,(H2,14,15,16)
InChIKeyWVRHVMMTQLTDLV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.51
Rot. Bonds3

About 2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine

2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 80994196) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
PubChem CID80994196
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(C)c1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C13H24N4/c1-7-8-17(6)11-9(2)10(14)15-12(16-11)13(3,4)5/h7-8H2,1-6H3,(H2,14,15,16)
InChIKeyWVRHVMMTQLTDLV-UHFFFAOYSA-N
XLogP2.51
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80982036
4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80976041
2-ethyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80993286
2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80993344
2-tert-butyl-4-N,5-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 80984780
4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993107
2-tert-butyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80993251
2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80982626
2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80983873
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80993292
2-tert-butyl-6-hydrazinyl-5-methyl-N,N-dipropylpyrimidin-4-amine
CID 81000249
4-N-(2-ethoxyethyl)-2-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 81067549

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine (CID 80994196) is 2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine is CCCN(C)c1nc(C(C)(C)C)nc(N)c1C.
What is the InChIKey of 2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is WVRHVMMTQLTDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-7-8-17(6)11-9(2)10(14)15-12(16-11)13(3,4)5/h7-8H2,1-6H3,(H2,14,15,16).
What are the key properties of 2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine?
2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80994196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).