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

C12H14N4S — CID 80808750

IUPAC4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nccc(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C12H14N4S/c13-12-14-6-5-11(15-12)16(9-3-4-9)8-10-2-1-7-17-10/h1-2,5-7,9H,3-4,8H2,(H2,13,14,15)
InChIKeyTYWBZSNLTSDYSA-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.29
Rot. Bonds4

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

4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80808750) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80808750
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nccc(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C12H14N4S/c13-12-14-6-5-11(15-12)16(9-3-4-9)8-10-2-1-7-17-10/h1-2,5-7,9H,3-4,8H2,(H2,13,14,15)
InChIKeyTYWBZSNLTSDYSA-UHFFFAOYSA-N
XLogP2.29
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280123
N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 133350927
8-N-cyclopropyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80778465
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461
6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 60733814
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 62936059
N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62289080
5-chloro-N-cyclopropyl-6-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62288900
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide
CID 61449471
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808585
5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114920935
2-N-cyclopropyl-2-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79882328

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (CID 80808750) is 4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is Nc1nccc(N(Cc2cccs2)C2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is TYWBZSNLTSDYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-12-14-6-5-11(15-12)16(9-3-4-9)8-10-2-1-7-17-10/h1-2,5-7,9H,3-4,8H2,(H2,13,14,15).
What are the key properties of 4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 246.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80808750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).