4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

C16H24N4S — CID 103325749

IUPAC4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCN(c1nc(NCCC)nc2sccc12)C1CC1
InChIInChI=1S/C16H24N4S/c1-3-5-10-20(12-6-7-12)14-13-8-11-21-15(13)19-16(18-14)17-9-4-2/h8,11-12H,3-7,9-10H2,1-2H3,(H,17,18,19)
InChIKeyPPOIISBVRXZZEQ-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.28
Rot. Bonds8

About 4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325749) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325749
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCN(c1nc(NCCC)nc2sccc12)C1CC1
InChIInChI=1S/C16H24N4S/c1-3-5-10-20(12-6-7-12)14-13-8-11-21-15(13)19-16(18-14)17-9-4-2/h8,11-12H,3-7,9-10H2,1-2H3,(H,17,18,19)
InChIKeyPPOIISBVRXZZEQ-UHFFFAOYSA-N
XLogP4.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335410
2-[cyclopropyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103333014
4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327411
2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103333025
4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326591
4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324544
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
N-butyl-N-cyclopropyl-6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103332655
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329656
4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324912
2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326516
3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile
CID 103326435

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103325749) is 4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCCN(c1nc(NCCC)nc2sccc12)C1CC1.
What is the InChIKey of 4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is PPOIISBVRXZZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-3-5-10-20(12-6-7-12)14-13-8-11-21-15(13)19-16(18-14)17-9-4-2/h8,11-12H,3-7,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).