2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine

C12H22N4S — CID 112667867

IUPAC2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(N(C)C(C)CSC)n1
InChIInChI=1S/C12H22N4S/c1-6-10-14-11(13)9(3)12(15-10)16(4)8(2)7-17-5/h8H,6-7H2,1-5H3,(H2,13,14,15)
InChIKeyKSTBKBMJZLYSDQ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.12
Rot. Bonds5

About 2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine

2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 112667867) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine
PubChem CID112667867
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(N(C)C(C)CSC)n1
InChIInChI=1S/C12H22N4S/c1-6-10-14-11(13)9(3)12(15-10)16(4)8(2)7-17-5/h8H,6-7H2,1-5H3,(H2,13,14,15)
InChIKeyKSTBKBMJZLYSDQ-UHFFFAOYSA-N
XLogP2.12
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine
CID 112667940
2-ethyl-4-N,5-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine
CID 112667604
2-ethyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80993286
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80982333
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918601
4-N-(2-ethoxyethyl)-2-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 81067549
2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984730
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 113426551
2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine
CID 80987431
2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80994071
6-chloro-N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80972382
4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993583

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine (CID 112667867) is 2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine is CCc1nc(N)c(C)c(N(C)C(C)CSC)n1.
What is the InChIKey of 2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is KSTBKBMJZLYSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-6-10-14-11(13)9(3)12(15-10)16(4)8(2)7-17-5/h8H,6-7H2,1-5H3,(H2,13,14,15).
What are the key properties of 2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine?
2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 254.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112667867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).