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

C17H27N3S — CID 83193246

IUPAC2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CCC(CC)CC2)nc2c1CSC2
InChIInChI=1S/C17H27N3S/c1-3-9-18-17-14-10-21-11-15(14)19-16(20-17)13-7-5-12(4-2)6-8-13/h12-13H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyBNPBOGNCKDZBGY-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.73
Rot. Bonds5

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

2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83193246) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83193246
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CCC(CC)CC2)nc2c1CSC2
InChIInChI=1S/C17H27N3S/c1-3-9-18-17-14-10-21-11-15(14)19-16(20-17)13-7-5-12(4-2)6-8-13/h12-13H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyBNPBOGNCKDZBGY-UHFFFAOYSA-N
XLogP4.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191205
[2-(4-propylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83200676
2-(methoxymethyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191111
2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486512
2-cycloheptyl-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 65399990
N-methyl-2-(4-propan-2-ylcyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191188
N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472404
2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65391131
2-(3-methylcyclopentyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472620
6-ethyl-2-(4-ethylcyclohexyl)-N-propylpyrimidin-4-amine
CID 65390933
N-propyl-2-pyridin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190014
2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190571

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83193246) is 2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCCNc1nc(C2CCC(CC)CC2)nc2c1CSC2.
What is the InChIKey of 2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is BNPBOGNCKDZBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-3-9-18-17-14-10-21-11-15(14)19-16(20-17)13-7-5-12(4-2)6-8-13/h12-13H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 305.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83193246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).