4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

C16H22N4S — CID 80778927

IUPAC4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(Cc2cccs2)C2CC2)c1C
InChIInChI=1S/C16H22N4S/c1-3-8-17-15-12(2)16(19-11-18-15)20(13-6-7-13)10-14-5-4-9-21-14/h4-5,9,11,13H,3,6-8,10H2,1-2H3,(H,17,18,19)
InChIKeyGDXQJOLHWWAUPQ-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.84
Rot. Bonds7

About 4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80778927) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80778927
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(Cc2cccs2)C2CC2)c1C
InChIInChI=1S/C16H22N4S/c1-3-8-17-15-12(2)16(19-11-18-15)20(13-6-7-13)10-14-5-4-9-21-14/h4-5,9,11,13H,3,6-8,10H2,1-2H3,(H,17,18,19)
InChIKeyGDXQJOLHWWAUPQ-UHFFFAOYSA-N
XLogP3.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80780258
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808585
5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872234
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808866
5-bromo-4-N-cyclopropyl-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809068
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62752585
6-hydrazinyl-N,5-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80907283
N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66318811
N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62289080
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80844060
4-N-(4,4-dimethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80839629

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 80778927) is 4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is CCCNc1ncnc(N(Cc2cccs2)C2CC2)c1C.
What is the InChIKey of 4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is GDXQJOLHWWAUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-3-8-17-15-12(2)16(19-11-18-15)20(13-6-7-13)10-14-5-4-9-21-14/h4-5,9,11,13H,3,6-8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 302.45 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80778927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).