4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

C14H22N6S — CID 107465163

IUPAC4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2cn(C)nc2CC)nc(SC)n1
InChIInChI=1S/C14H22N6S/c1-5-7-15-12-8-13(18-14(17-12)21-4)16-11-9-20(3)19-10(11)6-2/h8-9H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyDHXYIWJJIHXUNJ-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.06
Rot. Bonds7

About 4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 107465163) has the molecular formula C14H22N6S and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID107465163
Molecular FormulaC14H22N6S
Molecular Weight306.44 g/mol
Exact Mass306.16
IUPAC Name4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2cn(C)nc2CC)nc(SC)n1
InChIInChI=1S/C14H22N6S/c1-5-7-15-12-8-13(18-14(17-12)21-4)16-11-9-20(3)19-10(11)6-2/h8-9H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyDHXYIWJJIHXUNJ-UHFFFAOYSA-N
XLogP3.06
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 102807842
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
4-N-(5-bromo-2-fluorophenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80776553
4-N-(2-chloro-5-methylphenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 107638862
2-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,6-diamine
CID 107465113
2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 102807870
4-N-(4-bromo-2-chlorophenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80773687
N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinylpyrazin-2-amine
CID 107465301
4-N-(3-methylphenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80755461
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide
CID 107463320
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpyridin-2-amine
CID 107463689

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine (CID 107465163) is 4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2cn(C)nc2CC)nc(SC)n1.
What is the InChIKey of 4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is DHXYIWJJIHXUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6S/c1-5-7-15-12-8-13(18-14(17-12)21-4)16-11-9-20(3)19-10(11)6-2/h8-9H,5-7H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 306.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 107465163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).