N-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C15H15Cl2N3 — CID 63536590

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESClc1ccc(CCNc2ncnc3c2CCC3)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3/c16-11-5-4-10(13(17)8-11)6-7-18-15-12-2-1-3-14(12)19-9-20-15/h4-5,8-9H,1-3,6-7H2,(H,18,19,20)
InChIKeyGTEFFBJJTLNRTO-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.93
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 63536590) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID63536590
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESClc1ccc(CCNc2ncnc3c2CCC3)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3/c16-11-5-4-10(13(17)8-11)6-7-18-15-12-2-1-3-14(12)19-9-20-15/h4-5,8-9H,1-3,6-7H2,(H,18,19,20)
InChIKeyGTEFFBJJTLNRTO-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832435
N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121312
2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)acetamide
CID 16953492
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 78929904
N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 78909268
4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112855896
N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855709
N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 61224338
N-[2-(2,4-dichlorophenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856076
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
CID 62833489
N-cyclopropyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62832253

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 63536590) is N-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Clc1ccc(CCNc2ncnc3c2CCC3)c(Cl)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is GTEFFBJJTLNRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c16-11-5-4-10(13(17)8-11)6-7-18-15-12-2-1-3-14(12)19-9-20-15/h4-5,8-9H,1-3,6-7H2,(H,18,19,20).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 308.21 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 63536590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).