tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate

C15H19N5O2 — CID 90378489

IUPACtert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Nc2ncc(N)cn2)c1
InChIInChI=1S/C15H19N5O2/c1-15(2,3)22-14(21)20-12-6-4-5-11(7-12)19-13-17-8-10(16)9-18-13/h4-9H,16H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyGIXVYAOMUGUSJL-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.15
Rot. Bonds3

About tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate

tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate (PubChem CID 90378489) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate
PubChem CID90378489
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Nametert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Nc2ncc(N)cn2)c1
InChIInChI=1S/C15H19N5O2/c1-15(2,3)22-14(21)20-12-6-4-5-11(7-12)19-13-17-8-10(16)9-18-13/h4-9H,16H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyGIXVYAOMUGUSJL-UHFFFAOYSA-N
XLogP3.15
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]phenyl]carbamate
CID 141416560
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CID 57387079
tert-butyl N-[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]carbamate
CID 155926735
tert-butyl N-[3-(2-aminoanilino)phenyl]carbamate
CID 129052010
tert-butyl N-[3-(2-amino-4-methylanilino)phenyl]carbamate
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tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035163
tert-butyl N-[3-[[4-(3-aminopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate
CID 177203955
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-2-methylsulfanylpyrimidine-5-carboxylic acid
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tert-butyl N-[3-[[5-fluoro-2-(iodomethyl)pyrimidin-4-yl]amino]phenyl]carbamate
CID 89434791
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
tert-butyl N-[3-[[5-fluoro-4-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]carbamate
CID 176883769

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate (CID 90378489) is tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(Nc2ncc(N)cn2)c1.
What is the InChIKey of tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate?
The InChIKey is GIXVYAOMUGUSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-15(2,3)22-14(21)20-12-6-4-5-11(7-12)19-13-17-8-10(16)9-18-13/h4-9H,16H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate?
tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate has a molecular weight of 301.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate is sourced from PubChem (CID 90378489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).