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

C14H18N4S — CID 80985468

IUPAC2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(NCc2ccsc2)c1C
InChIInChI=1S/C14H18N4S/c1-9-12(15-2)17-14(11-3-4-11)18-13(9)16-7-10-5-6-19-8-10/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyHLFQPIONLPAYNB-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.38
Rot. Bonds5

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

2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80985468) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80985468
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(NCc2ccsc2)c1C
InChIInChI=1S/C14H18N4S/c1-9-12(15-2)17-14(11-3-4-11)18-13(9)16-7-10-5-6-19-8-10/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyHLFQPIONLPAYNB-UHFFFAOYSA-N
XLogP3.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984435
6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985045
2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992318
2-cyclopropyl-6-N,5-dimethyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80983342
6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80913941
2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 106378820
5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984277
3-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 83065242
2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine
CID 81006959
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992851
ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80993671
2-cyclopropyl-4-N-(3-methoxypropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980570

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (CID 80985468) is 2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is CNc1nc(C2CC2)nc(NCc2ccsc2)c1C.
What is the InChIKey of 2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is HLFQPIONLPAYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9-12(15-2)17-14(11-3-4-11)18-13(9)16-7-10-5-6-19-8-10/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 274.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80985468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).