N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine

C15H15Cl2N3 — CID 62757509

IUPACN-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
SMILESClc1ccc(Cc2ncc(CNC3CC3)cn2)cc1Cl
InChIInChI=1S/C15H15Cl2N3/c16-13-4-1-10(5-14(13)17)6-15-19-8-11(9-20-15)7-18-12-2-3-12/h1,4-5,8-9,12,18H,2-3,6-7H2
InChIKeyBLEJHBVUFPKBRW-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.63
Rot. Bonds5

About N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 62757509) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID62757509
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC NameN-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
SMILESClc1ccc(Cc2ncc(CNC3CC3)cn2)cc1Cl
InChIInChI=1S/C15H15Cl2N3/c16-13-4-1-10(5-14(13)17)6-15-19-8-11(9-20-15)7-18-12-2-3-12/h1,4-5,8-9,12,18H,2-3,6-7H2
InChIKeyBLEJHBVUFPKBRW-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755336
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313670
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-[[3-chloro-4-(3,4-dichlorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81160799
N-[[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 115568435
N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62757142
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine
CID 59828914
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 82007113
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841868

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine (CID 62757509) is N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine is Clc1ccc(Cc2ncc(CNC3CC3)cn2)cc1Cl.
What is the InChIKey of N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is BLEJHBVUFPKBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c16-13-4-1-10(5-14(13)17)6-15-19-8-11(9-20-15)7-18-12-2-3-12/h1,4-5,8-9,12,18H,2-3,6-7H2.
What are the key properties of N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 308.21 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62757509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).