6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

C14H20N4S — CID 80985045

IUPAC6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NCc2ccsc2)n1
InChIInChI=1S/C14H20N4S/c1-4-5-12-17-13(15-3)10(2)14(18-12)16-8-11-6-7-19-9-11/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyYVYCPQXZGOPFQZ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.45
Rot. Bonds6

About 6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80985045) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80985045
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NCc2ccsc2)n1
InChIInChI=1S/C14H20N4S/c1-4-5-12-17-13(15-3)10(2)14(18-12)16-8-11-6-7-19-9-11/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyYVYCPQXZGOPFQZ-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

5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984277
2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985468
6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80985315
6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80950446
6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986270
6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80913941
6-N,2-diethyl-5-methyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80987280
4-N-[(2-bromophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986834
6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 81173364
4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80980852
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984435
5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine
CID 80976401

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (CID 80985045) is 6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is CCCc1nc(NC)c(C)c(NCc2ccsc2)n1.
What is the InChIKey of 6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is YVYCPQXZGOPFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-5-12-17-13(15-3)10(2)14(18-12)16-8-11-6-7-19-9-11/h6-7,9H,4-5,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-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,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80985045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).