2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C13H17N5S — CID 83190461

IUPAC2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2cncn2C)nc2c1CSC2
InChIInChI=1S/C13H17N5S/c1-3-4-15-12-9-6-19-7-10(9)16-13(17-12)11-5-14-8-18(11)2/h5,8H,3-4,6-7H2,1-2H3,(H,15,16,17)
InChIKeyWYFZMKIIEJPTLT-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.45
Rot. Bonds4

About 2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83190461) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83190461
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2cncn2C)nc2c1CSC2
InChIInChI=1S/C13H17N5S/c1-3-4-15-12-9-6-19-7-10(9)16-13(17-12)11-5-14-8-18(11)2/h5,8H,3-4,6-7H2,1-2H3,(H,15,16,17)
InChIKeyWYFZMKIIEJPTLT-UHFFFAOYSA-N
XLogP2.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296529
2-(3-ethyl-4-pyridinyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193388
N-propyl-2-pyridin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190014
2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190684
N-ethyl-2-(3-methylimidazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 66116420
2-(2,5-dimethylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193396
N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189907
2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 105410512
2-(3-fluoro-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193280
2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191111
2-(3-ethylimidazol-4-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472648
2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193253

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83190461) is 2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCCNc1nc(-c2cncn2C)nc2c1CSC2.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is WYFZMKIIEJPTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-3-4-15-12-9-6-19-7-10(9)16-13(17-12)11-5-14-8-18(11)2/h5,8H,3-4,6-7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83190461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).