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

C14H21N5S — CID 80842748

IUPAC4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCc2cc(C)c(C)s2)nc(N)n1
InChIInChI=1S/C14H21N5S/c1-4-5-16-12-7-13(19-14(15)18-12)17-8-11-6-9(2)10(3)20-11/h6-7H,4-5,8H2,1-3H3,(H4,15,16,17,18,19)
InChIKeyJDIJFKCIEHYLAN-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.17
Rot. Bonds6

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

4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80842748) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80842748
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCc2cc(C)c(C)s2)nc(N)n1
InChIInChI=1S/C14H21N5S/c1-4-5-16-12-7-13(19-14(15)18-12)17-8-11-6-9(2)10(3)20-11/h6-7H,4-5,8H2,1-3H3,(H4,15,16,17,18,19)
InChIKeyJDIJFKCIEHYLAN-UHFFFAOYSA-N
XLogP3.17
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80931350
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80836366
4-N-[(4-methylthiophen-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80852357
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80807651
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814394
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80753696
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80829137
4-N-[(3-ethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80855130
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80846411
2-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80934863

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine (CID 80842748) is 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NCc2cc(C)c(C)s2)nc(N)n1.
What is the InChIKey of 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is JDIJFKCIEHYLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-4-5-16-12-7-13(19-14(15)18-12)17-8-11-6-9(2)10(3)20-11/h6-7H,4-5,8H2,1-3H3,(H4,15,16,17,18,19).
What are the key properties of 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine?
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 291.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80842748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).