6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine

C14H20N4S — CID 80818107

IUPAC6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCc1ccc(C)s1
InChIInChI=1S/C14H20N4S/c1-4-5-12-13(15-3)17-9-18-14(12)16-8-11-7-6-10(2)19-11/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyOVMKCWPFOQFWIH-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.45
Rot. Bonds6

About 6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine

6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine (PubChem CID 80818107) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
PubChem CID80818107
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCc1ccc(C)s1
InChIInChI=1S/C14H20N4S/c1-4-5-12-13(15-3)17-9-18-14(12)16-8-11-7-6-10(2)19-11/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyOVMKCWPFOQFWIH-UHFFFAOYSA-N
XLogP3.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 80908255
5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80818447
6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 103879890
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 106043147
6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80807627
6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80814068
6-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80813355
6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80821940
6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
CID 63023616
5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60964837
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 62057964

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine (CID 80818107) is 6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCc1ccc(C)s1.
What is the InChIKey of 6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine?
The InChIKey is OVMKCWPFOQFWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-5-12-13(15-3)17-9-18-14(12)16-8-11-7-6-10(2)19-11/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine?
6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80818107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).