2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine

C15H28N4 — CID 80993344

IUPAC2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(C)c1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C15H28N4/c1-8-11(9-2)19(7)13-10(3)12(16)17-14(18-13)15(4,5)6/h11H,8-9H2,1-7H3,(H2,16,17,18)
InChIKeyLJQMDYKXIQFMQB-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.29
Rot. Bonds4

About 2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine

2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine (PubChem CID 80993344) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
PubChem CID80993344
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(C)c1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C15H28N4/c1-8-11(9-2)19(7)13-10(3)12(16)17-14(18-13)15(4,5)6/h11H,8-9H2,1-7H3,(H2,16,17,18)
InChIKeyLJQMDYKXIQFMQB-UHFFFAOYSA-N
XLogP3.29
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-propylpyrimidine-4,6-diamine
CID 80994196
4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993583
4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80976041
2-tert-butyl-5-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80982036
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,5-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 80984780
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80971580
2-tert-butyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80986621
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82745998
2-tert-butyl-4-N-heptan-2-yl-5-methylpyrimidine-4,6-diamine
CID 80986702

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine (CID 80993344) is 2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine is CCC(CC)N(C)c1nc(C(C)(C)C)nc(N)c1C.
What is the InChIKey of 2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The InChIKey is LJQMDYKXIQFMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-8-11(9-2)19(7)13-10(3)12(16)17-14(18-13)15(4,5)6/h11H,8-9H2,1-7H3,(H2,16,17,18).
What are the key properties of 2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine?
2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.29, 4 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-pentan-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80993344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).