2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol

C14H18N4O — CID 107541913

IUPAC2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol
SMILESNCc1ccnc(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C14H18N4O/c15-10-13-6-7-16-14(17-13)18(8-9-19)11-12-4-2-1-3-5-12/h1-7,19H,8-11,15H2
InChIKeyVMZBKUMGTXJBNB-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.93
Rot. Bonds6

About 2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol

2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol (PubChem CID 107541913) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol
PubChem CID107541913
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol
SMILESNCc1ccnc(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C14H18N4O/c15-10-13-6-7-16-14(17-13)18(8-9-19)11-12-4-2-1-3-5-12/h1-7,19H,8-11,15H2
InChIKeyVMZBKUMGTXJBNB-UHFFFAOYSA-N
XLogP0.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107542342
2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
CID 83183770
4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 134264948
2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile
CID 107552766
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol
CID 114765175
N,N-dibenzyl-4-methylpyrimidin-2-amine
CID 66545602
6-[benzyl(2-hydroxyethyl)amino]pyridine-2-carbothioamide
CID 64593716
2-[benzyl-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
CID 80902590
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol
CID 80796932
2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 62115648
(2-benzylpyrimidin-4-yl)methanamine
CID 62748253
2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile
CID 107057524

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol (CID 107541913) is 2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol is NCc1ccnc(N(CCO)Cc2ccccc2)n1.
What is the InChIKey of 2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol?
The InChIKey is VMZBKUMGTXJBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-13-6-7-16-14(17-13)18(8-9-19)11-12-4-2-1-3-5-12/h1-7,19H,8-11,15H2.
What are the key properties of 2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol?
2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol has a molecular weight of 258.32 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol is sourced from PubChem (CID 107541913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).