N,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C15H19N5S — CID 46982740

IUPACN,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCCc1cc(CN(C)c2nc(C)nc3sccc23)[nH]n1
InChIInChI=1S/C15H19N5S/c1-4-5-11-8-12(19-18-11)9-20(3)14-13-6-7-21-15(13)17-10(2)16-14/h6-8H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyONKADVRVLOCJEB-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.31
Rot. Bonds5

About N,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

N,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 46982740) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID46982740
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC NameN,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCCc1cc(CN(C)c2nc(C)nc3sccc23)[nH]n1
InChIInChI=1S/C15H19N5S/c1-4-5-11-8-12(19-18-11)9-20(3)14-13-6-7-21-15(13)17-10(2)16-14/h6-8H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyONKADVRVLOCJEB-UHFFFAOYSA-N
XLogP3.31
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 46982740) is N,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCCc1cc(CN(C)c2nc(C)nc3sccc23)[nH]n1.
What is the InChIKey of N,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ONKADVRVLOCJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-4-5-11-8-12(19-18-11)9-20(3)14-13-6-7-21-15(13)17-10(2)16-14/h6-8H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of N,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 301.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46982740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).