2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

C12H14N4S — CID 80968050

IUPAC2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCc2cccs2)nc(C2CC2)n1
InChIInChI=1S/C12H14N4S/c13-10-6-11(14-7-9-2-1-5-17-9)16-12(15-10)8-3-4-8/h1-2,5-6,8H,3-4,7H2,(H3,13,14,15,16)
InChIKeyCQMFTQCEUQYASS-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.61
Rot. Bonds4

About 2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80968050) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80968050
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCc2cccs2)nc(C2CC2)n1
InChIInChI=1S/C12H14N4S/c13-10-6-11(14-7-9-2-1-5-17-9)16-12(15-10)8-3-4-8/h1-2,5-6,8H,3-4,7H2,(H3,13,14,15,16)
InChIKeyCQMFTQCEUQYASS-UHFFFAOYSA-N
XLogP2.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80969142
4-N-[(4-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80960032
4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80959171
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 81000587
6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80774344
2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine
CID 80961888
2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80960729
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80960549
2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 121206040
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967419
6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817433

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 80968050) is 2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is Nc1cc(NCc2cccs2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is CQMFTQCEUQYASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-10-6-11(14-7-9-2-1-5-17-9)16-12(15-10)8-3-4-8/h1-2,5-6,8H,3-4,7H2,(H3,13,14,15,16).
What are the key properties of 2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 246.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80968050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).