2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine

C16H30N4 — CID 80982626

IUPAC2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1N(CC(C)C)C(C)C
InChIInChI=1S/C16H30N4/c1-10(2)9-20(11(3)4)14-12(5)13(17)18-15(19-14)16(6,7)8/h10-11H,9H2,1-8H3,(H2,17,18,19)
InChIKeyQVPDQSBTRIWWPP-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.54
Rot. Bonds4

About 2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine

2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80982626) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80982626
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1N(CC(C)C)C(C)C
InChIInChI=1S/C16H30N4/c1-10(2)9-20(11(3)4)14-12(5)13(17)18-15(19-14)16(6,7)8/h10-11H,9H2,1-8H3,(H2,17,18,19)
InChIKeyQVPDQSBTRIWWPP-UHFFFAOYSA-N
XLogP3.54
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.54
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-pentan-3-ylpyrimidine-4,6-diamine
CID 80993344
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-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80976041
2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80983873
2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine
CID 80988672
2-tert-butyl-4-N,5-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 80984780
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972296
2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine
CID 80984364
3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80993315
1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
CID 80993136

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 80982626) is 2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)(C)C)nc1N(CC(C)C)C(C)C.
What is the InChIKey of 2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is QVPDQSBTRIWWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-10(2)9-20(11(3)4)14-12(5)13(17)18-15(19-14)16(6,7)8/h10-11H,9H2,1-8H3,(H2,17,18,19).
What are the key properties of 2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).