2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine

C14H26N4O2S — CID 80959559

IUPAC2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)CS(C)(=O)=O)nc(C(C)(C)C)n1
InChIInChI=1S/C14H26N4O2S/c1-7-15-11-8-12(16-10(2)9-21(6,19)20)18-13(17-11)14(3,4)5/h8,10H,7,9H2,1-6H3,(H2,15,16,17,18)
InChIKeySKKSGRQEYYVCRW-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.05
Rot. Bonds6

About 2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine

2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80959559) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
PubChem CID80959559
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)CS(C)(=O)=O)nc(C(C)(C)C)n1
InChIInChI=1S/C14H26N4O2S/c1-7-15-11-8-12(16-10(2)9-21(6,19)20)18-13(17-11)14(3,4)5/h8,10H,7,9H2,1-6H3,(H2,15,16,17,18)
InChIKeySKKSGRQEYYVCRW-UHFFFAOYSA-N
XLogP2.05
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine
CID 80844221
2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565253
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80958459
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
6-ethoxy-2-methyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 66325292
6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 80915241
4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771304
2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960225

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine (CID 80959559) is 2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine is CCNc1cc(NC(C)CS(C)(=O)=O)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is SKKSGRQEYYVCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-7-15-11-8-12(16-10(2)9-21(6,19)20)18-13(17-11)14(3,4)5/h8,10H,7,9H2,1-6H3,(H2,15,16,17,18).
What are the key properties of 2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine?
2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 314.46 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80959559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).