4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine

C17H32N4 — CID 80976041

IUPAC4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine
SMILESCCCCN(CCCC)c1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C17H32N4/c1-7-9-11-21(12-10-8-2)15-13(3)14(18)19-16(20-15)17(4,5)6/h7-12H2,1-6H3,(H2,18,19,20)
InChIKeyCJIYIGUQWNDKII-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.07
Rot. Bonds7

About 4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine

4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80976041) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine
PubChem CID80976041
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine
SMILESCCCCN(CCCC)c1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C17H32N4/c1-7-9-11-21(12-10-8-2)15-13(3)14(18)19-16(20-15)17(4,5)6/h7-12H2,1-6H3,(H2,18,19,20)
InChIKeyCJIYIGUQWNDKII-UHFFFAOYSA-N
XLogP4.07
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.07
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
2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80994196
4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976255
2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80993344
2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80983873
2-tert-butyl-6-hydrazinyl-5-methyl-N,N-dipropylpyrimidin-4-amine
CID 81000249
2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80982626
2-tert-butyl-4-N-heptan-2-yl-5-methylpyrimidine-4,6-diamine
CID 80986702
2-tert-butyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80993251
2-tert-butyl-4-N,5-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 80984780
2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine
CID 80995478
3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80989324

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine (CID 80976041) is 4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine is CCCCN(CCCC)c1nc(C(C)(C)C)nc(N)c1C.
What is the InChIKey of 4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is CJIYIGUQWNDKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-7-9-11-21(12-10-8-2)15-13(3)14(18)19-16(20-15)17(4,5)6/h7-12H2,1-6H3,(H2,18,19,20).
What are the key properties of 4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine?
4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80976041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).