4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine

C13H18ClN5S — CID 80799386

IUPAC4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(C)Cc2ccc(Cl)s2)nc(N)n1
InChIInChI=1S/C13H18ClN5S/c1-3-6-16-11-7-12(18-13(15)17-11)19(2)8-9-4-5-10(14)20-9/h4-5,7H,3,6,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyMKIINALQNOXYLC-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.23
Rot. Bonds6

About 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine

4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80799386) has the molecular formula C13H18ClN5S and a molecular weight of 311.84 g/mol. Its IUPAC name is 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80799386
Molecular FormulaC13H18ClN5S
Molecular Weight311.84 g/mol
Exact Mass311.10
IUPAC Name4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(C)Cc2ccc(Cl)s2)nc(N)n1
InChIInChI=1S/C13H18ClN5S/c1-3-6-16-11-7-12(18-13(15)17-11)19(2)8-9-4-5-10(14)20-9/h4-5,7H,3,6,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyMKIINALQNOXYLC-UHFFFAOYSA-N
XLogP3.23
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine with MolForge

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Related Compounds

4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80939996
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80836366
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80778356
4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine
CID 80773723
2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine
CID 78918157
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80780316
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62282523
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine
CID 103055827
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799004
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80815573

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine (CID 80799386) is 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(N(C)Cc2ccc(Cl)s2)nc(N)n1.
What is the InChIKey of 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is MKIINALQNOXYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5S/c1-3-6-16-11-7-12(18-13(15)17-11)19(2)8-9-4-5-10(14)20-9/h4-5,7H,3,6,8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 311.84 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80799386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).