N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine

C14H18N4 — CID 117224131

IUPACN'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine
SMILESCc1cccc(Cc2cnc(NCCN)nc2)c1
InChIInChI=1S/C14H18N4/c1-11-3-2-4-12(7-11)8-13-9-17-14(18-10-13)16-6-5-15/h2-4,7,9-10H,5-6,8,15H2,1H3,(H,16,17,18)
InChIKeyLDZMZLMTSUALTN-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.75
Rot. Bonds5

About N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine

N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 117224131) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID117224131
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine
SMILESCc1cccc(Cc2cnc(NCCN)nc2)c1
InChIInChI=1S/C14H18N4/c1-11-3-2-4-12(7-11)8-13-9-17-14(18-10-13)16-6-5-15/h2-4,7,9-10H,5-6,8,15H2,1H3,(H,16,17,18)
InChIKeyLDZMZLMTSUALTN-UHFFFAOYSA-N
XLogP1.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine
CID 117210311
N'-[3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 66879142
N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine
CID 62757123
N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69241095
N'-[5-(3-chlorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 117224110
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
1-iodo-3-[(3-methylphenyl)methyl]benzene
CID 155312038
1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224089
[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757531
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273

Frequently Asked Questions

What is the IUPAC name of N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine (CID 117224131) is N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine is Cc1cccc(Cc2cnc(NCCN)nc2)c1.
What is the InChIKey of N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is LDZMZLMTSUALTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-3-2-4-12(7-11)8-13-9-17-14(18-10-13)16-6-5-15/h2-4,7,9-10H,5-6,8,15H2,1H3,(H,16,17,18).
What are the key properties of N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine?
N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 242.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 117224131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).