2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol

C14H19N5O — CID 80822214

IUPAC2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol
SMILESCNc1cc(N(CCO)Cc2ccccc2)nc(N)n1
InChIInChI=1S/C14H19N5O/c1-16-12-9-13(18-14(15)17-12)19(7-8-20)10-11-5-3-2-4-6-11/h2-6,9,20H,7-8,10H2,1H3,(H3,15,16,17,18)
InChIKeyRTHOYFKSUWJDIG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.10
Rot. Bonds6

About 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol

2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol (PubChem CID 80822214) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol
PubChem CID80822214
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol
SMILESCNc1cc(N(CCO)Cc2ccccc2)nc(N)n1
InChIInChI=1S/C14H19N5O/c1-16-12-9-13(18-14(15)17-12)19(7-8-20)10-11-5-3-2-4-6-11/h2-6,9,20H,7-8,10H2,1H3,(H3,15,16,17,18)
InChIKeyRTHOYFKSUWJDIG-UHFFFAOYSA-N
XLogP1.10
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80847357
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol
CID 114765175
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810065
2-[(5-amino-6-methoxy-2-pyridinyl)-benzylamino]ethanol
CID 62114263
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80794701
6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80777642
2-[ethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80791441
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495464
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol
CID 80808361
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495264
4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80757098

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol?
The IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol (CID 80822214) is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol?
The canonical SMILES for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol is CNc1cc(N(CCO)Cc2ccccc2)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol?
The InChIKey is RTHOYFKSUWJDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-16-12-9-13(18-14(15)17-12)19(7-8-20)10-11-5-3-2-4-6-11/h2-6,9,20H,7-8,10H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol?
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol has a molecular weight of 273.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol is sourced from PubChem (CID 80822214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).