2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine

C14H20N4S — CID 80950302

IUPAC2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NC(C)Cc2cccs2)n1
InChIInChI=1S/C14H20N4S/c1-3-5-13-17-12(15)9-14(18-13)16-10(2)8-11-6-4-7-19-11/h4,6-7,9-10H,3,5,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyOFRBJDLAYWUQLI-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.12
Rot. Bonds6

About 2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine

2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80950302) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
PubChem CID80950302
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NC(C)Cc2cccs2)n1
InChIInChI=1S/C14H20N4S/c1-3-5-13-17-12(15)9-14(18-13)16-10(2)8-11-6-4-7-19-11/h4,6-7,9-10H,3,5,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyOFRBJDLAYWUQLI-UHFFFAOYSA-N
XLogP3.12
TPSA63.83 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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80940460
2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80949949
2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80830294
2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80949557
2-propyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80949925
2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114767664
6-N-ethyl-2-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80955053
6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 61397753
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453
methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80955368
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine (CID 80950302) is 2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine is CCCc1nc(N)cc(NC(C)Cc2cccs2)n1.
What is the InChIKey of 2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is OFRBJDLAYWUQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-5-13-17-12(15)9-14(18-13)16-10(2)8-11-6-4-7-19-11/h4,6-7,9-10H,3,5,8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80950302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).