2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine

C12H16ClN3S — CID 103320555

IUPAC2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCN(c1nc(Cl)nc2sccc12)C(C)C
InChIInChI=1S/C12H16ClN3S/c1-4-6-16(8(2)3)10-9-5-7-17-11(9)15-12(13)14-10/h5,7-8H,4,6H2,1-3H3
InChIKeyBDIBQGHABAPELV-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.97
Rot. Bonds4

About 2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine

2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320555) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103320555
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCN(c1nc(Cl)nc2sccc12)C(C)C
InChIInChI=1S/C12H16ClN3S/c1-4-6-16(8(2)3)10-9-5-7-17-11(9)15-12(13)14-10/h5,7-8H,4,6H2,1-3H3
InChIKeyBDIBQGHABAPELV-UHFFFAOYSA-N
XLogP3.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320935
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321205
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 103321124
3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile
CID 103326435
2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321956
2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321385
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 103335528
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 103321215
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 103322064
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol
CID 103322493
4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326605
2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103320724

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 103320555) is 2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCN(c1nc(Cl)nc2sccc12)C(C)C.
What is the InChIKey of 2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BDIBQGHABAPELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-4-6-16(8(2)3)10-9-5-7-17-11(9)15-12(13)14-10/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 269.80 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).