N-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine

C14H18N4 — CID 63208616

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC(C)c2ccc(CN)cc2)nc1
InChIInChI=1S/C14H18N4/c1-10-8-16-14(17-9-10)18-11(2)13-5-3-12(7-15)4-6-13/h3-6,8-9,11H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyBCSFQKJDPMUGKN-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.42
Rot. Bonds4

About N-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine

N-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine (PubChem CID 63208616) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine
PubChem CID63208616
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC(C)c2ccc(CN)cc2)nc1
InChIInChI=1S/C14H18N4/c1-10-8-16-14(17-9-10)18-11(2)13-5-3-12(7-15)4-6-13/h3-6,8-9,11H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyBCSFQKJDPMUGKN-UHFFFAOYSA-N
XLogP2.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine (CID 63208616) is N-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine is Cc1cnc(NC(C)c2ccc(CN)cc2)nc1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine?
The InChIKey is BCSFQKJDPMUGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-8-16-14(17-9-10)18-11(2)13-5-3-12(7-15)4-6-13/h3-6,8-9,11H,7,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine?
N-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 63208616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).