2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine

C14H24N4 — CID 80994208

IUPAC2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NCC1CCC1
InChIInChI=1S/C14H24N4/c1-9-11(15)17-13(14(2,3)4)18-12(9)16-8-10-6-5-7-10/h10H,5-8H2,1-4H3,(H3,15,16,17,18)
InChIKeyZQZMUUQVWOADKQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.88
Rot. Bonds3

About 2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80994208) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80994208
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NCC1CCC1
InChIInChI=1S/C14H24N4/c1-9-11(15)17-13(14(2,3)4)18-12(9)16-8-10-6-5-7-10/h10H,5-8H2,1-4H3,(H3,15,16,17,18)
InChIKeyZQZMUUQVWOADKQ-UHFFFAOYSA-N
XLogP2.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137926
2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80982416
2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80983916
2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine
CID 80981629
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80984904
2-tert-butyl-4-N-(1,4-dioxan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80986815
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981481
methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80981003
2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
CID 80972600
1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
CID 80993136
2-tert-butyl-6-hydrazinyl-5-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421345
2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 80987816

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine (CID 80994208) is 2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)(C)C)nc1NCC1CCC1.
What is the InChIKey of 2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is ZQZMUUQVWOADKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-9-11(15)17-13(14(2,3)4)18-12(9)16-8-10-6-5-7-10/h10H,5-8H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80994208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).